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Corannulene (C20H10)
Electronic States :

Energy
(eV)

-767.14824

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
4-31G


Rotational Constants
(cm-1)

a
0.01697
b
0.01697
c
0.00880

Dipole Moments
(Debye)

mu_x
0.00001
mu_y
0.00000
mu_z
-0.79027

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

# 1

Frequency
(cm-1)
144.36300

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.001

0.000

2

0.000

-0.001

-0.008

3

-0.001

0.001

0.013

4

0.001

0.001

-0.013

5

0.000

-0.001

0.008

6

0.000

-0.009

0.000

7

-0.024

-0.024

-0.083

8

-0.029

-0.026

-0.102

9

-0.010

-0.008

-0.032

10

-0.018

0.010

0.031

11

-0.021

0.024

0.083

12

-0.012

0.012

0.052

13

-0.008

0.017

0.032

14

0.009

0.017

-0.032

15

0.012

0.012

-0.052

16

0.021

0.024

-0.083

17

0.018

0.010

-0.031

18

0.010

-0.008

0.032

19

0.029

-0.026

0.102

20

0.024

-0.024

0.083

21

-0.039

-0.037

-0.128

22

-0.046

-0.043

-0.164

23

-0.025

0.017

0.044

24

-0.033

0.040

0.137

25

-0.015

0.023

0.057

26

0.015

0.023

-0.057

27

0.033

0.040

-0.137

28

0.025

0.016

-0.044

29

0.046

-0.043

0.164

30

0.039

-0.037

0.128

# 2

Frequency
(cm-1)
144.36800

IR Intesity
(km/mol)
0.00000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
0.00100

Eigenvectors

#

X

Y

Z

1

-0.002

0.000

-0.013

2

0.001

0.001

0.011

3

0.000

-0.001

-0.004

4

0.000

0.001

-0.004

5

0.001

-0.001

0.011

6

-0.018

0.000

-0.054

7

-0.025

0.001

-0.060

8

-0.012

0.011

0.001

9

-0.001

0.015

0.044

10

-0.002

0.037

0.098

11

0.002

0.028

0.060

12

0.009

0.004

-0.017

13

0.038

0.001

-0.097

14

0.038

-0.001

-0.097

15

0.009

-0.004

-0.017

16

0.002

-0.028

0.060

17

-0.002

-0.037

0.098

18

-0.001

-0.015

0.044

19

-0.012

-0.011

0.000

20

-0.025

-0.001

-0.061

21

-0.040

-0.001

-0.102

22

-0.016

0.015

0.007

23

-0.005

0.059

0.158

24

0.000

0.042

0.091

25

0.060

0.000

-0.153

26

0.060

0.000

-0.153

27

0.000

-0.042

0.091

28

-0.005

-0.059

0.158

29

-0.016

-0.015

0.007

30

-0.040

0.001

-0.102

# 3

Frequency
(cm-1)
149.39000

IR Intesity
(km/mol)
5.27200

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
0.35300

Eigenvectors

#

X

Y

Z

1

0.005

0.000

0.087

2

0.001

0.004

0.087

3

-0.004

0.003

0.087

4

-0.004

-0.003

0.087

5

0.001

-0.004

0.087

6

-0.019

0.000

0.017

7

-0.028

-0.018

-0.043

8

-0.026

-0.022

-0.043

9

-0.006

-0.018

0.017

10

0.008

-0.032

-0.043

11

0.013

-0.031

-0.043

12

0.016

-0.011

0.017

13

0.034

-0.002

-0.043

14

0.034

0.002

-0.043

15

0.016

0.011

0.017

16

0.013

0.031

-0.043

17

0.008

0.032

-0.043

18

-0.006

0.018

0.017

19

-0.026

0.022

-0.043

20

-0.028

0.018

-0.043

21

-0.048

-0.040

-0.104

22

-0.053

-0.034

-0.104

23

0.023

-0.058

-0.104

24

0.016

-0.061

-0.104

25

0.063

0.004

-0.104

26

0.063

-0.004

-0.104

27

0.016

0.061

-0.104

28

0.023

0.058

-0.104

29

-0.053

0.034

-0.104

30

-0.048

0.040

-0.104

# 4

Frequency
(cm-1)
286.02000

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.003

0.000

0.021

2

0.001

-0.003

-0.017

3

-0.002

-0.001

0.007

4

-0.002

0.002

0.006

5

0.001

0.003

-0.017

6

0.033

0.000

0.093

7

0.029

-0.011

0.056

8

-0.007

-0.036

-0.083

9

-0.006

-0.026

-0.076

10

-0.016

-0.005

-0.007

11

-0.023

0.022

0.080

12

-0.011

0.003

0.030

13

0.017

0.002

-0.044

14

0.018

-0.001

-0.046

15

-0.010

-0.002

0.027

16

-0.022

-0.022

0.079

17

-0.016

0.004

-0.005

18

-0.005

0.026

-0.074

19

-0.008

0.036

-0.083

20

0.028

0.011

0.054

21

0.041

-0.014

0.089

22

-0.020

-0.058

-0.154

23

-0.025

0.004

0.012

24

-0.039

0.048

0.164

25

0.043

0.001

-0.108

26

0.044

0.000

-0.111

27

-0.038

-0.049

0.163

28

-0.025

-0.005

0.016

29

-0.021

0.059

-0.156

30

0.040

0.015

0.085

# 5

Frequency
(cm-1)
286.02200

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.003

0.000

2

0.003

0.001

0.012

3

0.002

-0.002

-0.020

4

-0.002

-0.002

0.020

5

-0.003

0.001

-0.013

6

0.000

0.005

0.001

7

-0.023

-0.008

-0.065

8

-0.013

0.002

-0.022

9

0.009

0.017

0.054

10

0.011

0.034

0.085

11

0.023

-0.001

-0.031

12

0.024

-0.019

-0.088

13

0.023

-0.026

-0.073

14

-0.023

-0.026

0.072

15

-0.024

-0.019

0.089

16

-0.024

-0.002

0.033

17

-0.011

0.034

-0.085

18

-0.010

0.017

-0.056

19

0.013

0.003

0.019

20

0.024

-0.008

0.066

21

-0.049

-0.022

-0.142

22

-0.031

-0.008

-0.067

23

0.011

0.064

0.168

24

0.030

0.004

-0.036

25

0.040

-0.037

-0.129

26

-0.039

-0.037

0.126

27

-0.031

0.003

0.041

28

-0.011

0.064

-0.167

29

0.030

-0.007

0.063

30

0.050

-0.022

0.145

# 6

Frequency
(cm-1)
318.40300

IR Intesity
(km/mol)
0.09200

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
-0.04700

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.003

0.000

2

-0.002

-0.009

-0.109

3

0.003

-0.006

-0.068

4

-0.003

-0.006

0.067

5

0.002

-0.009

0.109

6

0.000

-0.013

0.000

7

0.021

-0.009

0.039

8

0.030

0.001

0.007

9

0.004

-0.001

-0.080

10

-0.015

0.030

0.032

11

-0.017

0.024

0.044

12

-0.006

-0.009

-0.050

13

-0.008

-0.022

-0.020

14

0.008

-0.022

0.020

15

0.006

-0.009

0.049

16

0.017

0.024

-0.044

17

0.015

0.030

-0.032

18

-0.004

-0.001

0.080

19

-0.030

0.002

-0.007

20

-0.022

-0.008

-0.040

21

0.047

-0.008

0.111

22

0.072

0.008

0.072

23

-0.040

0.076

0.142

24

-0.034

0.066

0.156

25

-0.019

-0.043

-0.023

26

0.018

-0.043

0.024

27

0.034

0.066

-0.156

28

0.040

0.076

-0.141

29

-0.073

0.009

-0.073

30

-0.047

-0.007

-0.112

# 7

Frequency
(cm-1)
318.40700

IR Intesity
(km/mol)
0.09200

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.04700

Diff mu_y
0.00000

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

-0.010

0.000

-0.114

2

-0.004

-0.002

-0.036

3

-0.008

0.003

0.092

4

-0.008

-0.003

0.093

5

-0.004

0.002

-0.035

6

0.000

0.000

-0.084

7

0.018

0.027

0.021

8

0.009

0.025

0.044

9

-0.012

0.004

-0.026

10

-0.020

-0.009

-0.031

11

-0.014

-0.023

0.007

12

-0.005

-0.006

0.068

13

0.032

-0.002

-0.040

14

0.032

0.002

-0.040

15

-0.005

0.006

0.068

16

-0.014

0.023

0.006

17

-0.020

0.009

-0.031

18

-0.012

-0.004

-0.026

19

0.008

-0.025

0.044

20

0.018

-0.027

0.020

21

0.048

0.067

0.113

22

0.032

0.052

0.141

23

-0.036

-0.020

-0.070

24

-0.026

-0.054

-0.025

25

0.083

0.002

-0.157

26

0.083

-0.002

-0.157

27

-0.026

0.054

-0.026

28

-0.036

0.020

-0.072

29

0.031

-0.052

0.140

30

0.047

-0.067

0.112

# 8

Frequency
(cm-1)
419.50000

IR Intesity
(km/mol)
2.38000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
-0.23700

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

0.046

0.000

2

0.007

0.067

0.039

3

-0.011

0.054

0.024

4

0.011

0.054

-0.024

5

-0.007

0.067

-0.039

6

0.000

-0.040

0.000

7

0.035

-0.062

-0.002

8

0.062

-0.031

0.005

9

0.030

0.053

0.018

10

-0.025

0.020

0.004

11

-0.035

0.001

0.002

12

-0.049

-0.005

0.011

13

-0.024

-0.082

0.004

14

0.024

-0.082

-0.004

15

0.049

-0.005

-0.011

16

0.035

0.001

-0.002

17

0.025

0.020

-0.004

18

-0.030

0.053

-0.018

19

-0.062

-0.031

-0.005

20

-0.035

-0.062

0.002

21

0.035

-0.085

-0.012

22

0.113

-0.056

-0.003

23

-0.068

0.025

-0.010

24

-0.023

0.007

-0.014

25

-0.050

-0.124

0.005

26

0.050

-0.124

-0.005

27

0.023

0.007

0.014

28

0.068

0.025

0.010

29

-0.113

-0.056

0.003

30

-0.035

-0.085

0.012

# 9

Frequency
(cm-1)
419.51800

IR Intesity
(km/mol)
2.38000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.23700

Diff mu_y
0.00000

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.069

0.000

0.041

2

0.048

0.007

0.013

3

0.061

-0.011

-0.033

4

0.061

0.011

-0.033

5

0.048

-0.007

0.013

6

0.063

0.000

0.019

7

0.001

0.052

0.005

8

-0.030

0.045

0.000

9

-0.031

0.030

0.006

10

-0.081

-0.009

0.003

11

-0.062

-0.051

-0.005

12

0.027

-0.049

-0.016

13

0.021

-0.008

-0.003

14

0.020

0.008

-0.003

15

0.027

0.049

-0.016

16

-0.062

0.051

-0.005

17

-0.081

0.009

0.003

18

-0.031

-0.030

0.006

19

-0.030

-0.045

0.000

20

0.001

-0.052

0.005

21

-0.008

0.104

-0.007

22

-0.037

0.044

-0.013

23

-0.118

0.001

0.009

24

-0.101

-0.093

-0.001

25

0.031

0.020

0.013

26

0.031

-0.020

0.013

27

-0.101

0.093

-0.001

28

-0.118

-0.001

0.009

29

-0.037

-0.044

-0.013

30

-0.008

-0.104

-0.007

# 10

Frequency
(cm-1)
452.86900

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

-0.023

0.000

2

-0.022

-0.009

0.004

3

-0.016

0.020

-0.007

4

0.016

0.020

0.007

5

0.022

-0.009

-0.004

6

0.000

-0.077

0.000

7

-0.054

-0.061

0.026

8

-0.061

-0.060

0.038

9

-0.066

-0.002

0.012

10

-0.053

0.030

-0.005

11

-0.054

0.043

-0.035

12

-0.015

0.041

-0.020

13

-0.008

0.049

-0.018

14

0.009

0.049

0.019

15

0.015

0.040

0.020

16

0.054

0.042

0.035

17

0.053

0.029

0.005

18

0.066

-0.002

-0.012

19

0.060

-0.060

-0.038

20

0.054

-0.061

-0.026

21

-0.056

-0.016

0.034

22

-0.023

-0.070

0.055

23

-0.020

0.024

-0.001

24

-0.061

0.024

-0.055

25

-0.008

0.038

-0.033

26

0.009

0.038

0.034

27

0.061

0.024

0.054

28

0.020

0.023

0.000

29

0.023

-0.070

-0.055

30

0.055

-0.016

-0.034

# 11

Frequency
(cm-1)
452.87700

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

-0.026

0.000

0.007

2

-0.006

0.024

-0.006

3

0.019

0.013

0.002

4

0.019

-0.013

0.002

5

-0.006

-0.024

-0.006

6

-0.038

0.000

0.021

7

-0.054

0.017

0.028

8

-0.043

0.027

-0.007

9

-0.033

0.043

-0.017

10

0.003

0.079

-0.038

11

0.009

0.071

-0.016

12

0.053

0.052

0.006

13

0.086

0.002

0.034

14

0.086

-0.003

0.033

15

0.053

-0.053

0.006

16

0.009

-0.072

-0.017

17

0.002

-0.079

-0.038

18

-0.034

-0.043

-0.017

19

-0.044

-0.027

-0.007

20

-0.055

-0.017

0.028

21

-0.048

0.022

0.046

22

-0.024

0.015

-0.018

23

0.031

0.066

-0.057

24

-0.017

0.040

-0.018

25

0.060

-0.033

0.047

26

0.060

0.033

0.046

27

-0.018

-0.040

-0.018

28

0.030

-0.066

-0.057

29

-0.024

-0.014

-0.017

30

-0.049

-0.022

0.046

# 12

Frequency
(cm-1)
461.94300

IR Intesity
(km/mol)
3.43300

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00100

Diff mu_y
-0.28500

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.007

0.000

2

-0.003

-0.017

-0.081

3

0.005

-0.010

-0.050

4

-0.005

-0.010

0.050

5

0.003

-0.017

0.081

6

0.000

-0.007

0.000

7

-0.031

-0.018

-0.077

8

0.020

0.023

0.057

9

0.011

0.027

0.036

10

0.002

0.008

0.009

11

0.005

-0.016

-0.041

12

-0.018

0.006

0.022

13

-0.040

0.007

0.082

14

0.040

0.007

-0.082

15

0.018

0.006

-0.022

16

-0.005

-0.016

0.042

17

-0.002

0.009

-0.010

18

-0.011

0.027

-0.036

19

-0.019

0.023

-0.056

20

0.030

-0.017

0.076

21

-0.060

-0.038

-0.166

22

0.041

0.028

0.095

23

-0.006

0.004

-0.008

24

0.018

-0.036

-0.106

25

-0.075

0.002

0.161

26

0.075

0.002

-0.161

27

-0.018

-0.037

0.108

28

0.006

0.005

0.007

29

-0.041

0.028

-0.094

30

0.060

-0.038

0.165

# 13

Frequency
(cm-1)
461.94600

IR Intesity
(km/mol)
3.43200

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.28500

Diff mu_y
0.00100

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.018

0.000

0.085

2

0.008

0.003

0.027

3

0.014

-0.005

-0.068

4

0.014

0.005

-0.069

5

0.008

-0.003

0.026

6

-0.031

0.000

-0.037

7

-0.019

-0.006

-0.034

8

0.021

0.017

0.062

9

0.004

-0.011

-0.012

10

0.007

-0.039

-0.084

11

-0.018

0.032

0.073

12

-0.018

0.018

0.030

13

0.005

0.003

-0.017

14

0.005

-0.003

-0.017

15

-0.018

-0.018

0.030

16

-0.018

-0.032

0.073

17

0.007

0.039

-0.083

18

0.004

0.011

-0.011

19

0.021

-0.018

0.062

20

-0.019

0.006

-0.035

21

-0.022

-0.020

-0.045

22

0.044

0.039

0.143

23

0.020

-0.074

-0.172

24

-0.021

0.062

0.135

25

0.018

-0.005

-0.061

26

0.018

0.005

-0.060

27

-0.021

-0.062

0.134

28

0.020

0.074

-0.172

29

0.044

-0.039

0.144

30

-0.022

0.020

-0.047

# 14

Frequency
(cm-1)
554.90000

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.013

0.000

2

-0.012

0.004

0.000

3

-0.008

-0.010

0.000

4

0.008

-0.010

0.000

5

0.012

0.004

0.000

6

0.000

0.003

0.000

7

-0.021

-0.012

-0.075

8

0.018

0.016

0.075

9

-0.003

0.001

0.000

10

0.005

-0.024

-0.075

11

-0.010

0.022

0.075

12

-0.002

-0.002

0.000

13

0.024

-0.002

-0.075

14

-0.024

-0.002

0.075

15

0.002

-0.002

0.000

16

0.010

0.022

-0.075

17

-0.005

-0.024

0.075

18

0.003

0.001

0.000

19

-0.018

0.016

-0.075

20

0.021

-0.012

0.075

21

-0.045

-0.021

-0.145

22

0.034

0.037

0.145

23

0.006

-0.050

-0.145

24

-0.024

0.044

0.145

25

0.049

-0.010

-0.145

26

-0.049

-0.010

0.145

27

0.024

0.044

-0.145

28

-0.006

-0.050

0.145

29

-0.034

0.037

-0.145

30

0.045

-0.021

0.145

# 15

Frequency
(cm-1)
562.87700

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

-0.059

0.000

0.027

2

0.005

0.049

-0.022

3

0.026

0.003

0.009

4

0.025

-0.004

0.008

5

0.004

-0.048

-0.022

6

-0.093

0.000

0.029

7

-0.032

-0.066

0.003

8

0.077

0.008

-0.004

9

0.038

0.068

-0.024

10

-0.029

0.031

0.000

11

-0.013

-0.051

0.005

12

0.009

-0.039

0.009

13

-0.002

-0.006

-0.003

14

-0.005

0.007

-0.003

15

0.007

0.037

0.009

16

-0.013

0.049

0.005

17

-0.027

-0.030

0.001

18

0.039

-0.066

-0.023

19

0.076

-0.008

-0.004

20

-0.032

0.065

0.002

21

-0.024

-0.184

-0.009

22

0.169

-0.031

-0.001

23

-0.119

0.057

0.017

24

-0.045

-0.082

0.012

25

0.019

0.020

-0.018

26

0.015

-0.015

-0.018

27

-0.042

0.077

0.012

28

-0.115

-0.055

0.017

29

0.166

0.031

-0.002

30

-0.024

0.183

-0.010

# 16

Frequency
(cm-1)
562.87800

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

-0.001

-0.019

0.000

2

-0.025

-0.028

0.016

3

-0.042

0.038

-0.026

4

0.042

0.038

0.026

5

0.025

-0.029

-0.016

6

-0.002

0.027

0.000

7

0.009

0.028

-0.004

8

-0.017

-0.006

-0.002

9

0.005

-0.058

0.017

10

0.050

-0.044

0.005

11

0.009

0.058

-0.001

12

-0.076

0.044

-0.027

13

-0.069

-0.038

-0.004

14

0.069

-0.038

0.004

15

0.077

0.046

0.028

16

-0.010

0.060

0.001

17

-0.051

-0.045

-0.005

18

-0.003

-0.060

-0.017

19

0.019

-0.006

0.002

20

-0.010

0.030

0.004

21

0.004

0.032

-0.016

22

-0.077

0.014

-0.018

23

0.122

-0.058

0.007

24

0.078

0.144

0.014

25

-0.129

-0.135

0.004

26

0.129

-0.136

-0.005

27

-0.080

0.147

-0.014

28

-0.126

-0.060

-0.007

29

0.082

0.015

0.018

30

-0.005

0.038

0.015

# 17

Frequency
(cm-1)
567.56500

IR Intesity
(km/mol)
15.87800

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
0.61300

Eigenvectors

#

X

Y

Z

1

-0.017

0.000

0.016

2

-0.005

-0.016

0.016

3

0.014

-0.010

0.016

4

0.014

0.010

0.016

5

-0.005

0.016

0.016

6

-0.071

0.000

-0.071

7

-0.031

-0.016

0.016

8

-0.024

-0.025

0.016

9

-0.022

-0.067

-0.071

10

0.005

-0.034

0.016

11

0.016

-0.031

0.016

12

0.057

-0.042

-0.071

13

0.034

-0.006

0.016

14

0.034

0.006

0.016

15

0.057

0.042

-0.071

16

0.016

0.031

0.016

17

0.005

0.034

0.016

18

-0.022

0.067

-0.071

19

-0.024

0.025

0.016

20

-0.031

0.016

0.016

21

0.010

-0.005

0.136

22

-0.002

0.011

0.136

23

0.008

0.008

0.136

24

-0.011

0.001

0.136

25

-0.005

0.010

0.136

26

-0.005

-0.010

0.136

27

-0.011

-0.001

0.136

28

0.008

-0.008

0.136

29

-0.002

-0.011

0.136

30

0.010

0.005

0.136

# 18

Frequency
(cm-1)
609.37300

IR Intesity
(km/mol)
1.73900

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
-0.20300

Eigenvectors

#

X

Y

Z

1

-0.034

0.000

-0.065

2

-0.010

-0.032

-0.065

3

0.027

-0.020

-0.065

4

0.027

0.020

-0.065

5

-0.010

0.032

-0.065

6

-0.018

0.000

0.050

7

-0.048

-0.029

0.013

8

-0.042

-0.036

0.013

9

-0.006

-0.017

0.050

10

0.013

-0.054

0.013

11

0.021

-0.051

0.013

12

0.015

-0.011

0.050

13

0.056

-0.005

0.013

14

0.056

0.005

0.013

15

0.015

0.011

0.050

16

0.021

0.051

0.013

17

0.013

0.054

0.013

18

-0.006

0.017

0.050

19

-0.042

0.036

0.013

20

-0.048

0.029

0.013

21

-0.075

-0.043

-0.064

22

-0.064

-0.058

-0.064

23

0.018

-0.085

-0.064

24

0.035

-0.079

-0.064

25

0.086

-0.009

-0.064

26

0.086

0.009

-0.064

27

0.035

0.079

-0.064

28

0.018

0.085

-0.064

29

-0.064

0.058

-0.064

30

-0.075

0.043

-0.064

# 19

Frequency
(cm-1)
626.15700

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.044

0.000

0.081

2

-0.007

-0.035

-0.066

3

-0.015

0.002

0.025

4

-0.015

-0.002

0.025

5

-0.007

0.035

-0.065

6

0.051

0.000

0.054

7

0.016

-0.041

-0.052

8

0.016

-0.040

0.062

9

-0.023

-0.036

-0.044

10

-0.034

0.019

0.021

11

-0.033

0.020

-0.050

12

-0.002

0.024

0.017

13

0.036

0.001

0.017

14

0.036

-0.001

0.018

15

-0.002

-0.024

0.017

16

-0.033

-0.020

-0.049

17

-0.034

-0.019

0.021

18

-0.023

0.036

-0.044

19

0.016

0.040

0.062

20

0.016

0.041

-0.052

21

-0.020

-0.043

-0.151

22

0.031

-0.025

0.120

23

-0.017

0.053

0.125

24

-0.044

0.011

-0.043

25

0.050

-0.024

-0.051

26

0.049

0.024

-0.051

27

-0.044

-0.011

-0.042

28

-0.017

-0.054

0.125

29

0.031

0.025

0.119

30

-0.020

0.043

-0.151

# 20

Frequency
(cm-1)
626.16400

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.007

0.000

2

0.014

0.023

0.047

3

0.033

-0.026

-0.077

4

-0.033

-0.027

0.077

5

-0.014

0.023

-0.048

6

0.000

-0.019

0.000

7

-0.035

-0.010

0.035

8

-0.036

-0.008

-0.002

9

-0.005

0.033

0.032

10

0.027

0.031

-0.059

11

0.028

0.031

0.038

12

0.043

-0.024

-0.052

13

0.000

-0.044

0.060

14

0.000

-0.044

-0.060

15

-0.043

-0.024

0.052

16

-0.028

0.031

-0.038

17

-0.027

0.031

0.059

18

0.005

0.033

-0.032

19

0.036

-0.008

0.002

20

0.035

-0.010

-0.035

21

-0.051

0.004

-0.005

22

-0.037

-0.043

-0.092

23

0.036

0.019

-0.085

24

-0.004

0.053

0.145

25

-0.027

-0.033

0.142

26

0.028

-0.033

-0.143

27

0.004

0.053

-0.145

28

-0.037

0.019

0.086

29

0.038

-0.043

0.093

30

0.051

0.004

0.004

# 21

Frequency
(cm-1)
661.52800

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

-0.003

0.001

2

-0.004

-0.004

-0.046

3

-0.006

0.006

0.073

4

0.006

0.006

-0.072

5

0.004

-0.004

0.044

6

0.000

-0.020

0.001

7

-0.059

-0.006

0.008

8

-0.042

0.001

0.011

9

-0.015

0.004

-0.038

10

0.053

0.068

-0.001

11

0.064

0.024

-0.011

12

0.003

0.005

0.060

13

0.027

-0.085

-0.006

14

-0.029

-0.085

0.006

15

-0.003

0.006

-0.059

16

-0.062

0.025

0.011

17

-0.051

0.068

0.002

18

0.016

0.004

0.036

19

0.041

-0.002

-0.011

20

0.057

-0.008

-0.008

21

-0.047

0.029

0.052

22

-0.009

0.010

0.071

23

0.078

0.058

-0.013

24

0.071

0.005

-0.061

25

0.029

-0.098

-0.031

26

-0.030

-0.099

0.028

27

-0.069

0.005

0.063

28

-0.077

0.058

0.016

29

0.008

0.006

-0.071

30

0.045

0.027

-0.054

# 22

Frequency
(cm-1)
661.53000

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

-0.009

0.000

-0.077

2

0.001

0.007

0.061

3

0.004

0.001

-0.022

4

0.004

0.000

-0.025

5

0.001

-0.007

0.063

6

-0.001

0.000

-0.062

7

0.057

-0.058

0.009

8

0.015

-0.090

-0.002

9

-0.011

0.005

0.050

10

-0.051

0.005

-0.012

11

-0.065

0.034

-0.005

12

0.011

0.015

-0.018

13

0.045

-0.004

0.010

14

0.044

0.001

0.010

15

0.011

-0.015

-0.020

16

-0.067

-0.033

-0.005

17

-0.053

-0.002

-0.012

18

-0.011

-0.004

0.051

19

0.016

0.090

-0.002

20

0.059

0.057

0.008

21

0.071

-0.056

0.049

22

0.033

-0.100

-0.007

23

-0.036

-0.019

-0.070

24

-0.078

0.003

-0.036

25

0.013

-0.022

0.064

26

0.012

0.018

0.065

27

-0.080

-0.003

-0.034

28

-0.039

0.021

-0.070

29

0.033

0.100

-0.009

30

0.072

0.057

0.047

# 23

Frequency
(cm-1)
674.27200

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.098

0.000

2

-0.093

0.030

0.000

3

-0.058

-0.079

0.000

4

0.058

-0.079

0.000

5

0.093

0.030

0.000

6

0.000

0.028

0.000

7

0.053

-0.008

-0.006

8

-0.009

-0.053

0.006

9

-0.027

0.009

0.000

10

0.024

0.048

-0.006

11

0.048

-0.025

0.006

12

-0.016

-0.023

0.000

13

-0.038

0.038

-0.006

14

0.038

0.038

0.006

15

0.016

-0.023

0.000

16

-0.048

-0.025

-0.006

17

-0.024

0.048

0.006

18

0.027

0.009

0.000

19

0.009

-0.053

-0.006

20

-0.053

-0.008

0.006

21

0.049

0.016

-0.011

22

-0.031

-0.041

0.011

23

0.000

0.051

-0.011

24

0.030

-0.042

0.011

25

-0.049

0.015

-0.011

26

0.049

0.015

0.011

27

-0.030

-0.042

-0.011

28

0.000

0.051

0.011

29

0.031

-0.041

-0.011

30

-0.049

0.016

0.011

# 24

Frequency
(cm-1)
687.57600

IR Intesity
(km/mol)
17.30000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00200

Diff mu_y
-0.64000

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.013

0.000

2

0.000

-0.013

-0.072

3

0.000

-0.013

-0.044

4

0.000

-0.013

0.044

5

0.000

-0.013

0.072

6

0.000

-0.014

0.000

7

-0.005

0.000

0.059

8

-0.007

0.002

-0.040

9

0.022

0.053

0.080

10

0.006

-0.006

-0.003

11

0.002

-0.007

0.034

12

-0.035

0.012

0.050

13

0.000

0.005

-0.061

14

0.000

0.005

0.061

15

0.035

0.011

-0.049

16

-0.002

-0.007

-0.035

17

-0.006

-0.006

0.003

18

-0.022

0.053

-0.080

19

0.007

0.002

0.039

20

0.005

0.000

-0.059

21

-0.026

-0.020

-0.004

22

-0.022

-0.053

-0.196

23

-0.007

-0.075

-0.198

24

0.036

-0.054

-0.126

25

0.010

-0.019

-0.119

26

-0.010

-0.019

0.118

27

-0.036

-0.054

0.125

28

0.007

-0.075

0.199

29

0.022

-0.053

0.196

30

0.026

-0.020

0.005

# 25

Frequency
(cm-1)
687.59000

IR Intesity
(km/mol)
17.29500

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.64000

Diff mu_y
0.00200

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

-0.013

0.000

-0.075

2

-0.013

0.000

-0.023

3

-0.013

0.000

0.061

4

-0.013

0.000

0.061

5

-0.013

0.000

-0.023

6

0.060

0.000

0.084

7

-0.003

-0.008

-0.022

8

-0.004

-0.005

0.049

9

-0.007

0.022

0.026

10

0.004

0.003

-0.063

11

0.005

0.004

0.053

12

0.034

-0.035

-0.068

13

-0.008

-0.002

-0.017

14

-0.008

0.002

-0.016

15

0.035

0.035

-0.068

16

0.005

-0.005

0.053

17

0.004

-0.003

-0.063

18

-0.007

-0.022

0.026

19

-0.004

0.005

0.049

20

-0.003

0.008

-0.023

21

-0.069

-0.011

-0.207

22

-0.035

-0.037

-0.069

23

-0.014

0.008

-0.061

24

-0.034

0.021

0.165

25

-0.069

0.025

0.170

26

-0.069

-0.025

0.171

27

-0.034

-0.022

0.166

28

-0.014

-0.008

-0.060

29

-0.035

0.037

-0.067

30

-0.068

0.011

-0.207

# 26

Frequency
(cm-1)
779.83800

IR Intesity
(km/mol)
3.03900

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.00100

Diff mu_y
0.26800

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.015

0.000

2

-0.008

-0.041

-0.014

3

0.014

-0.025

-0.008

4

-0.013

-0.025

0.008

5

0.009

-0.041

0.014

6

0.000

0.043

0.000

7

0.100

0.020

-0.021

8

0.013

-0.034

0.007

9

-0.022

-0.023

0.031

10

-0.023

0.043

-0.006

11

-0.046

0.076

-0.017

12

0.035

0.017

0.019

13

0.063

-0.048

0.017

14

-0.064

-0.048

-0.017

15

-0.035

0.018

-0.019

16

0.047

0.077

0.017

17

0.023

0.042

0.006

18

0.021

-0.023

-0.031

19

-0.013

-0.034

-0.007

20

-0.100

0.021

0.021

21

0.077

0.008

-0.090

22

-0.065

-0.011

-0.025

23

0.056

0.000

-0.081

24

-0.063

0.011

-0.106

25

0.078

-0.006

0.040

26

-0.078

-0.006

-0.041

27

0.064

0.012

0.106

28

-0.056

0.000

0.081

29

0.065

-0.011

0.026

30

-0.077

0.008

0.091

# 27

Frequency
(cm-1)
779.84400

IR Intesity
(km/mol)
3.03900

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.26800

Diff mu_y
-0.00100

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.044

0.000

0.014

2

0.018

0.009

0.004

3

0.034

-0.014

-0.012

4

0.034

0.014

-0.012

5

0.018

-0.008

0.004

6

0.030

0.000

-0.033

7

-0.003

-0.031

0.000

8

-0.057

-0.082

0.020

9

-0.036

0.022

-0.010

10

0.020

0.093

-0.020

11

0.053

-0.023

0.013

12

0.005

-0.035

0.026

13

-0.071

0.006

-0.012

14

-0.071

-0.006

-0.012

15

0.005

0.035

0.027

16

0.053

0.023

0.012

17

0.020

-0.093

-0.020

18

-0.036

-0.021

-0.010

19

-0.057

0.083

0.020

20

-0.002

0.031

0.000

21

0.007

0.058

0.056

22

-0.012

-0.071

0.103

23

-0.001

0.080

-0.068

24

0.011

-0.072

0.008

25

-0.007

0.058

-0.098

26

-0.007

-0.058

-0.098

27

0.010

0.072

0.007

28

-0.001

-0.080

-0.069

29

-0.012

0.071

0.103

30

0.007

-0.059

0.056

# 28

Frequency
(cm-1)
786.61600

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

-0.020

0.000

-0.059

2

0.004

0.015

0.048

3

0.005

-0.003

-0.018

4

0.005

0.003

-0.018

5

0.004

-0.015

0.048

6

0.005

0.000

0.003

7

0.000

0.004

0.009

8

0.001

0.008

0.024

9

0.005

-0.005

-0.002

10

0.002

-0.008

-0.039

11

0.009

-0.008

-0.048

12

-0.007

-0.007

0.001

13

-0.011

0.004

0.054

14

-0.011

-0.004

0.054

15

-0.007

0.007

0.001

16

0.009

0.008

-0.048

17

0.002

0.008

-0.039

18

0.005

0.005

-0.002

19

0.001

-0.008

0.024

20

0.000

-0.004

0.009

21

-0.037

-0.010

-0.097

22

-0.043

-0.027

-0.114

23

-0.015

0.110

0.272

24

-0.045

0.110

0.282

25

0.140

-0.017

-0.342

26

0.140

0.017

-0.342

27

-0.044

-0.110

0.282

28

-0.015

-0.109

0.271

29

-0.043

0.027

-0.114

30

-0.037

0.010

-0.097

# 29

Frequency
(cm-1)
786.62200

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.001

0.000

2

0.004

0.011

0.035

3

0.015

-0.011

-0.056

4

-0.015

-0.011

0.056

5

-0.004

0.011

-0.035

6

0.000

-0.010

0.000

7

-0.012

-0.002

-0.054

8

-0.007

-0.008

-0.049

9

-0.009

0.000

-0.002

10

0.003

0.009

0.038

11

0.000

0.005

0.025

12

-0.002

0.005

0.003

13

0.002

-0.005

-0.008

14

-0.002

-0.005

0.008

15

0.002

0.005

-0.003

16

0.000

0.005

-0.026

17

-0.003

0.010

-0.038

18

0.009

0.000

0.002

19

0.007

-0.008

0.049

20

0.012

-0.002

0.054

21

0.118

0.069

0.328

22

0.095

0.092

0.322

23

0.025

-0.085

-0.208

24

0.040

-0.067

-0.193

25

-0.008

-0.009

0.009

26

0.008

-0.009

-0.009

27

-0.040

-0.067

0.194

28

-0.025

-0.085

0.208

29

-0.095

0.092

-0.322

30

-0.118

0.069

-0.328

# 30

Frequency
(cm-1)
825.27100

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

-0.039

0.000

-0.115

2

0.005

0.031

0.093

3

0.014

-0.001

-0.036

4

0.014

0.001

-0.035

5

0.005

-0.031

0.093

6

0.042

0.000

0.100

7

-0.019

-0.003

-0.035

8

0.008

0.015

0.023

9

-0.012

-0.032

-0.081

10

0.003

0.013

0.034

11

0.006

-0.007

-0.002

12

-0.009

0.010

0.031

13

0.002

-0.002

-0.019

14

0.002

0.002

-0.019

15

-0.009

-0.010

0.031

16

0.006

0.007

-0.002

17

0.003

-0.013

0.034

18

-0.012

0.032

-0.081

19

0.008

-0.015

0.023

20

-0.019

0.003

-0.035

21

-0.026

-0.004

-0.055

22

0.030

0.041

0.113

23

0.008

-0.009

-0.024

24

0.029

-0.049

-0.128

25

-0.041

0.005

0.094

26

-0.041

-0.005

0.094

27

0.029

0.049

-0.128

28

0.008

0.009

-0.024

29

0.030

-0.041

0.113

30

-0.026

0.004

-0.055

# 31

Frequency
(cm-1)
825.28100

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.008

0.000

2

0.013

0.020

0.067

3

0.028

-0.024

-0.109

4

-0.028

-0.024

0.109

5

-0.013

0.020

-0.068

6

0.000

0.003

0.000

7

-0.003

-0.001

0.009

8

0.003

0.008

0.028

9

-0.005

-0.024

-0.059

10

0.002

0.014

0.013

11

0.012

-0.012

-0.036

12

-0.033

0.023

0.095

13

0.017

-0.009

-0.031

14

-0.017

-0.009

0.031

15

0.033

0.023

-0.095

16

-0.012

-0.012

0.036

17

-0.002

0.014

-0.013

18

0.005

-0.024

0.059

19

-0.003

0.008

-0.028

20

0.003

-0.001

-0.009

21

-0.046

-0.022

-0.116

22

-0.022

-0.016

-0.062

23

-0.003

0.056

0.127

24

0.010

-0.003

-0.016

25

0.037

-0.014

-0.089

26

-0.037

-0.014

0.088

27

-0.010

-0.003

0.017

28

0.003

0.056

-0.127

29

0.022

-0.016

0.062

30

0.046

-0.022

0.117

# 32

Frequency
(cm-1)
855.45700

IR Intesity
(km/mol)
5.98100

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.37600

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.025

0.000

2

0.002

-0.018

-0.009

3

-0.004

-0.022

-0.006

4

0.004

-0.022

0.006

5

-0.002

-0.018

0.009

6

0.000

-0.005

0.000

7

0.002

0.002

-0.029

8

-0.001

-0.003

-0.044

9

0.009

0.024

0.074

10

-0.001

-0.001

-0.061

11

0.001

0.002

-0.056

12

-0.015

0.006

0.046

13

0.003

-0.001

-0.009

14

-0.003

-0.001

0.009

15

0.015

0.006

-0.046

16

-0.001

0.002

0.055

17

0.001

-0.001

0.061

18

-0.009

0.024

-0.074

19

0.001

-0.003

0.044

20

-0.002

0.002

0.029

21

0.089

0.038

0.221

22

0.040

0.044

0.120

23

-0.012

0.118

0.257

24

-0.067

0.115

0.295

25

0.022

-0.006

-0.062

26

-0.022

-0.006

0.062

27

0.067

0.115

-0.295

28

0.012

0.118

-0.257

29

-0.040

0.044

-0.120

30

-0.089

0.038

-0.221

# 33

Frequency
(cm-1)
855.46100

IR Intesity
(km/mol)
5.98100

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.37600

Diff mu_y
0.00000

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.017

0.000

0.009

2

0.024

-0.002

0.003

3

0.020

0.004

-0.008

4

0.020

-0.004

-0.008

5

0.024

0.002

0.003

6

-0.027

0.000

-0.078

7

0.002

0.000

0.055

8

-0.002

-0.001

0.044

9

0.002

-0.009

-0.024

10

-0.001

0.003

-0.010

11

0.002

-0.003

-0.028

12

-0.016

0.015

0.063

13

0.000

-0.002

-0.061

14

0.000

0.002

-0.061

15

-0.016

-0.015

0.063

16

0.002

0.003

-0.028

17

-0.001

-0.003

-0.010

18

0.002

0.009

-0.024

19

-0.002

0.001

0.044

20

0.002

0.000

0.055

21

-0.086

-0.039

-0.198

22

-0.080

-0.090

-0.271

23

-0.005

0.062

0.149

24

-0.009

0.017

0.030

25

-0.129

0.028

0.290

26

-0.129

-0.028

0.290

27

-0.009

-0.017

0.030

28

-0.005

-0.062

0.149

29

-0.080

0.090

-0.271

30

-0.085

0.039

-0.198

# 34

Frequency
(cm-1)
879.88200

IR Intesity
(km/mol)
129.92100

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
1.75300

Eigenvectors

#

X

Y

Z

1

0.002

0.000

-0.006

2

0.001

0.002

-0.006

3

-0.002

0.001

-0.006

4

-0.002

-0.001

-0.006

5

0.001

-0.002

-0.006

6

0.022

0.000

0.050

7

-0.019

-0.009

-0.041

8

-0.014

-0.015

-0.041

9

0.007

0.021

0.050

10

0.003

-0.020

-0.041

11

0.010

-0.018

-0.041

12

-0.018

0.013

0.050

13

0.020

-0.004

-0.041

14

0.020

0.004

-0.041

15

-0.018

-0.013

0.050

16

0.010

0.018

-0.041

17

0.003

0.020

-0.041

18

0.007

-0.021

0.050

19

-0.014

0.015

-0.041

20

-0.019

0.009

-0.041

21

0.070

0.047

0.223

22

0.067

0.052

0.222

23

-0.023

0.081

0.222

24

-0.029

0.080

0.222

25

-0.085

0.003

0.222

26

-0.085

-0.003

0.222

27

-0.029

-0.080

0.222

28

-0.023

-0.081

0.222

29

0.067

-0.052

0.222

30

0.070

-0.047

0.223

# 35

Frequency
(cm-1)
882.13700

IR Intesity
(km/mol)
0.14500

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.00100

Diff mu_y
-0.05800

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.093

0.001

2

0.014

-0.046

0.048

3

-0.025

-0.075

0.029

4

0.024

-0.075

-0.030

5

-0.016

-0.047

-0.047

6

0.000

-0.022

0.000

7

-0.016

0.000

0.007

8

0.057

0.067

-0.020

9

0.007

0.001

-0.016

10

-0.010

0.078

-0.015

11

-0.015

0.035

-0.005

12

-0.012

-0.014

-0.010

13

-0.061

0.018

-0.016

14

0.062

0.018

0.017

15

0.012

-0.013

0.010

16

0.016

0.037

0.005

17

0.010

0.077

0.015

18

-0.008

0.001

0.016

19

-0.057

0.066

0.020

20

0.017

-0.001

-0.007

21

-0.014

-0.090

-0.019

22

0.084

0.041

-0.062

23

0.005

0.057

-0.072

24

-0.049

-0.026

-0.055

25

-0.097

-0.051

-0.026

26

0.098

-0.050

0.028

27

0.049

-0.024

0.056

28

-0.007

0.056

0.072

29

-0.085

0.041

0.061

30

0.016

-0.091

0.017

# 36

Frequency
(cm-1)
882.13900

IR Intesity
(km/mol)
0.14500

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.05900

Diff mu_y
-0.00100

Diff mu_z
-0.00400

Eigenvectors

#

X

Y

Z

1

0.042

-0.001

-0.050

2

0.088

-0.016

-0.015

3

0.059

0.024

0.041

4

0.060

-0.025

0.040

5

0.088

0.015

-0.016

6

-0.003

0.000

0.017

7

-0.080

-0.035

0.018

8

-0.012

-0.004

-0.001

9

0.020

-0.007

0.005

10

-0.002

-0.041

0.012

11

-0.043

0.067

-0.019

12

0.006

0.012

-0.014

13

-0.061

0.010

-0.011

14

-0.060

-0.009

-0.010

15

0.006

-0.012

-0.014

16

-0.043

-0.067

-0.019

17

-0.002

0.043

0.013

18

0.020

0.007

0.005

19

-0.013

0.006

-0.001

20

-0.079

0.035

0.018

21

-0.064

-0.043

0.070

22

0.069

-0.028

0.038

23

0.084

-0.063

0.004

24

0.002

0.106

-0.048

25

-0.024

0.040

-0.068

26

-0.022

-0.041

-0.068

27

0.003

-0.106

-0.046

28

0.084

0.064

0.005

29

0.067

0.028

0.039

30

-0.064

0.041

0.070

# 37

Frequency
(cm-1)
968.19200

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

-0.073

0.000

2

0.070

-0.023

0.000

3

0.043

0.059

0.000

4

-0.043

0.059

0.000

5

-0.070

-0.023

0.000

6

0.000

0.016

0.000

7

0.058

0.025

-0.020

8

-0.042

-0.048

0.020

9

-0.016

0.005

0.000

10

-0.006

0.063

-0.020

11

0.032

-0.054

0.020

12

-0.010

-0.013

0.000

13

-0.062

0.014

-0.020

14

0.062

0.014

0.020

15

0.010

-0.013

0.000

16

-0.032

-0.054

-0.020

17

0.006

0.063

0.020

18

0.016

0.005

0.000

19

0.042

-0.048

-0.020

20

-0.058

0.025

0.020

21

0.037

0.089

-0.063

22

-0.096

-0.008

0.063

23

-0.073

0.063

-0.063

24

-0.022

-0.094

0.063

25

-0.082

-0.050

-0.063

26

0.082

-0.050

0.063

27

0.022

-0.094

-0.063

28

0.073

0.063

0.063

29

0.096

-0.008

-0.063

30

-0.037

0.089

0.063

# 38

Frequency
(cm-1)
991.80200

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.004

0.000

2

-0.004

0.001

0.000

3

-0.002

-0.003

0.000

4

0.002

-0.003

0.000

5

0.004

0.001

0.000

6

0.000

0.001

0.000

7

0.006

0.005

0.045

8

-0.006

-0.004

-0.045

9

-0.001

0.000

0.000

10

-0.002

0.007

0.045

11

0.002

-0.007

-0.045

12

-0.001

-0.001

0.000

13

-0.008

0.000

0.045

14

0.008

0.000

-0.045

15

0.001

-0.001

0.000

16

-0.002

-0.007

0.045

17

0.002

0.007

-0.045

18

0.001

0.000

0.000

19

0.006

-0.004

0.045

20

-0.006

0.005

-0.045

21

-0.093

-0.062

-0.250

22

0.088

0.069

0.250

23

0.030

-0.107

-0.250

24

-0.038

0.105

0.250

25

0.111

-0.004

-0.250

26

-0.111

-0.004

0.250

27

0.038

0.105

-0.250

28

-0.030

-0.107

0.250

29

-0.088

0.069

-0.250

30

0.093

-0.062

0.250

# 39

Frequency
(cm-1)
999.56900

IR Intesity
(km/mol)
0.82000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.13900

Diff mu_y
0.00000

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

0.000

-0.003

2

0.002

-0.001

-0.001

3

0.001

0.001

0.003

4

0.001

-0.001

0.003

5

0.002

0.001

-0.001

6

-0.004

0.000

-0.010

7

0.012

0.007

0.041

8

-0.006

-0.003

-0.032

9

-0.004

0.000

-0.003

10

-0.005

0.015

0.057

11

0.006

-0.017

-0.060

12

-0.004

0.000

0.008

13

0.004

-0.002

-0.005

14

0.004

0.002

-0.005

15

-0.004

0.000

0.008

16

0.006

0.017

-0.060

17

-0.005

-0.015

0.057

18

-0.004

0.000

-0.003

19

-0.006

0.003

-0.032

20

0.012

-0.007

0.041

21

-0.079

-0.050

-0.230

22

0.058

0.054

0.187

23

0.030

-0.134

-0.329

24

-0.055

0.131

0.345

25

-0.009

-0.002

0.026

26

-0.009

0.002

0.027

27

-0.055

-0.131

0.345

28

0.030

0.134

-0.329

29

0.058

-0.054

0.187

30

-0.079

0.050

-0.230

# 40

Frequency
(cm-1)
999.57700

IR Intesity
(km/mol)
0.81900

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
-0.13900

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

0.002

0.000

2

-0.001

0.000

-0.003

3

0.001

0.002

-0.002

4

-0.001

0.002

0.002

5

0.001

0.000

0.003

6

0.000

-0.004

0.000

7

-0.009

-0.007

-0.047

8

0.013

0.011

0.053

9

0.000

-0.004

-0.009

10

-0.001

0.009

0.024

11

-0.001

-0.002

-0.014

12

0.000

-0.004

-0.006

13

-0.017

0.000

0.062

14

0.017

0.000

-0.062

15

0.000

-0.004

0.006

16

0.001

-0.002

0.014

17

0.001

0.009

-0.024

18

0.000

-0.004

0.009

19

-0.013

0.011

-0.053

20

0.009

-0.007

0.047

21

0.098

0.057

0.271

22

-0.094

-0.080

-0.302

23

0.014

-0.052

-0.135

24

-0.017

0.033

0.084

25

0.146

-0.013

-0.355

26

-0.146

-0.013

0.355

27

0.017

0.033

-0.084

28

-0.014

-0.052

0.135

29

0.094

-0.080

0.302

30

-0.098

0.057

-0.271

# 41

Frequency
(cm-1)
1009.14200

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.002

0.000

0.004

2

-0.001

-0.001

-0.003

3

0.000

0.001

0.001

4

0.000

0.000

0.001

5

-0.001

0.001

-0.003

6

0.005

0.000

0.014

7

-0.018

-0.013

-0.061

8

0.017

0.012

0.059

9

0.000

-0.004

-0.011

10

-0.004

0.016

0.039

11

0.002

-0.010

-0.035

12

-0.003

-0.001

0.004

13

0.003

-0.001

-0.003

14

0.003

0.001

-0.003

15

-0.003

0.001

0.004

16

0.002

0.010

-0.035

17

-0.004

-0.016

0.039

18

0.000

0.004

-0.011

19

0.017

-0.012

0.059

20

-0.018

0.013

-0.061

21

0.118

0.060

0.341

22

-0.090

-0.093

-0.330

23

0.014

-0.083

-0.221

24

-0.037

0.067

0.193

25

-0.005

-0.001

0.018

26

-0.005

0.001

0.017

27

-0.037

-0.067

0.193

28

0.014

0.083

-0.221

29

-0.090

0.092

-0.330

30

0.118

-0.059

0.340

# 42

Frequency
(cm-1)
1009.14500

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.000

0.000

2

0.000

0.001

0.002

3

0.001

-0.001

-0.004

4

-0.001

-0.001

0.004

5

0.000

0.001

-0.002

6

0.000

0.003

0.000

7

0.002

0.003

0.017

8

-0.008

-0.007

-0.022

9

0.003

0.002

0.008

10

0.006

-0.015

-0.049

11

-0.007

0.019

0.053

12

0.003

-0.003

-0.013

13

-0.023

0.000

0.063

14

0.023

0.000

-0.063

15

-0.003

-0.003

0.013

16

0.007

0.019

-0.053

17

-0.006

-0.015

0.049

18

-0.003

0.002

-0.008

19

0.008

-0.007

0.022

20

-0.002

0.003

-0.017

21

-0.035

-0.015

-0.092

22

0.034

0.032

0.125

23

-0.015

0.107

0.275

24

0.051

-0.101

-0.295

25

0.135

-0.023

-0.352

26

-0.135

-0.023

0.352

27

-0.051

-0.102

0.295

28

0.015

0.107

-0.275

29

-0.034

0.032

-0.126

30

0.035

-0.015

0.093

# 43

Frequency
(cm-1)
1064.51300

IR Intesity
(km/mol)
1.58800

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
0.19400

Eigenvectors

#

X

Y

Z

1

-0.046

0.000

-0.006

2

-0.014

-0.043

-0.006

3

0.037

-0.027

-0.006

4

0.037

0.027

-0.006

5

-0.014

0.043

-0.006

6

-0.064

0.000

0.035

7

0.041

0.010

-0.016

8

0.022

0.036

-0.016

9

-0.020

-0.060

0.035

10

0.003

0.042

-0.016

11

-0.027

0.032

-0.016

12

0.051

-0.037

0.035

13

-0.039

0.016

-0.016

14

-0.039

-0.016

-0.016

15

0.051

0.037

0.035

16

-0.027

-0.032

-0.016

17

0.003

-0.042

-0.016

18

-0.020

0.060

0.035

19

0.022

-0.036

-0.016

20

0.041

-0.010

-0.016

21

0.072

-0.162

0.016

22

-0.131

0.119

0.016

23

0.176

0.019

0.016

24

-0.153

-0.088

0.016

25

0.037

0.173

0.016

26

0.037

-0.173

0.016

27

-0.153

0.088

0.016

28

0.176

-0.019

0.016

29

-0.131

-0.119

0.016

30

0.072

0.162

0.016

# 44

Frequency
(cm-1)
1115.04800

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

-0.082

0.000

0.030

2

-0.022

0.077

-0.025

3

0.063

0.044

0.009

4

0.063

-0.044

0.009

5

-0.022

-0.077

-0.025

6

-0.048

0.000

0.024

7

0.065

0.028

-0.028

8

-0.033

-0.042

0.022

9

-0.009

0.044

-0.019

10

0.008

-0.061

0.022

11

-0.012

0.011

-0.009

12

0.033

0.020

0.007

13

-0.028

0.002

-0.009

14

-0.028

-0.002

-0.009

15

0.033

-0.020

0.007

16

-0.012

-0.011

-0.008

17

0.008

0.060

0.022

18

-0.009

-0.044

-0.019

19

-0.033

0.042

0.022

20

0.065

-0.028

-0.028

21

0.054

0.101

-0.044

22

-0.138

0.009

0.036

23

0.012

-0.060

0.035

24

0.067

0.095

-0.014

25

0.005

0.062

-0.013

26

0.006

-0.062

-0.013

27

0.067

-0.095

-0.014

28

0.011

0.059

0.035

29

-0.138

-0.009

0.036

30

0.054

-0.101

-0.044

# 45

Frequency
(cm-1)
1115.05400

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

-0.076

0.000

2

-0.074

-0.027

0.018

3

-0.049

0.065

-0.029

4

0.049

0.065

0.029

5

0.073

-0.027

-0.018

6

0.000

-0.037

0.000

7

0.004

0.007

0.000

8

0.034

0.033

-0.016

9

-0.038

-0.018

0.014

10

0.000

0.037

-0.016

11

0.034

-0.060

0.026

12

-0.030

0.036

-0.022

13

0.063

-0.016

0.026

14

-0.063

-0.016

-0.026

15

0.030

0.036

0.022

16

-0.034

-0.060

-0.026

17

0.000

0.037

0.016

18

0.038

-0.018

-0.014

19

-0.034

0.033

0.016

20

-0.004

0.007

0.000

21

0.016

-0.089

0.000

22

0.002

0.046

-0.025

23

-0.119

0.058

-0.026

24

0.005

-0.088

0.041

25

0.110

0.073

0.042

26

-0.110

0.073

-0.042

27

-0.005

-0.089

-0.041

28

0.119

0.059

0.026

29

-0.002

0.046

0.025

30

-0.016

-0.089

-0.001

# 46

Frequency
(cm-1)
1188.01800

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.032

0.000

-0.011

2

-0.005

-0.025

0.009

3

-0.011

0.002

-0.003

4

-0.011

-0.002

-0.003

5

-0.005

0.025

0.009

6

0.010

0.000

-0.004

7

0.008

-0.022

0.002

8

0.011

0.027

-0.006

9

-0.059

0.011

0.003

10

-0.045

-0.031

0.002

11

0.057

-0.018

0.007

12

0.054

0.080

-0.001

13

-0.031

0.063

-0.006

14

-0.031

-0.063

-0.006

15

0.055

-0.080

-0.001

16

0.057

0.018

0.007

17

-0.046

0.031

0.002

18

-0.060

-0.011

0.003

19

0.011

-0.028

-0.006

20

0.009

0.022

0.002

21

0.032

-0.165

0.022

22

0.036

0.013

-0.022

23

-0.249

0.001

-0.014

24

0.126

0.053

0.013

25

0.056

0.231

0.001

26

0.056

-0.231

0.000

27

0.127

-0.054

0.013

28

-0.250

-0.001

-0.014

29

0.035

-0.014

-0.022

30

0.032

0.166

0.022

# 47

Frequency
(cm-1)
1188.01900

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.005

0.000

2

0.010

0.016

-0.006

3

0.023

-0.019

0.010

4

-0.023

-0.019

-0.010

5

-0.010

0.016

0.006

6

0.000

-0.102

0.000

7

0.062

-0.027

-0.007

8

-0.016

0.063

-0.004

9

-0.077

0.031

-0.003

10

-0.023

-0.040

0.007

11

0.039

0.008

0.000

12

0.026

0.020

0.004

13

-0.017

-0.003

-0.004

14

0.016

-0.004

0.004

15

-0.026

0.020

-0.004

16

-0.039

0.008

0.000

17

0.022

-0.040

-0.007

18

0.076

0.031

0.003

19

0.016

0.063

0.004

20

-0.062

-0.027

0.007

21

0.085

-0.178

-0.007

22

-0.201

0.158

0.008

23

-0.060

-0.033

0.019

24

0.171

0.138

-0.019

25

-0.057

-0.085

-0.023

26

0.057

-0.086

0.023

27

-0.170

0.138

0.019

28

0.059

-0.033

-0.019

29

0.202

0.157

-0.008

30

-0.085

-0.177

0.007

# 48

Frequency
(cm-1)
1196.06300

IR Intesity
(km/mol)
4.34600

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00700

Diff mu_y
0.32100

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.050

0.000

2

0.010

-0.014

0.013

3

-0.019

-0.037

0.007

4

0.018

-0.036

-0.008

5

-0.013

-0.015

-0.012

6

0.001

0.021

0.000

7

-0.003

0.024

-0.007

8

0.003

-0.035

0.008

9

0.006

0.037

-0.018

10

-0.036

-0.023

0.004

11

0.036

0.013

-0.002

12

-0.008

0.027

-0.010

13

0.018

-0.004

0.010

14

-0.019

-0.006

-0.010

15

0.009

0.027

0.011

16

-0.037

0.012

0.002

17

0.037

-0.023

-0.004

18

-0.005

0.037

0.017

19

-0.002

-0.034

-0.009

20

0.002

0.023

0.008

21

-0.034

0.220

-0.036

22

0.189

-0.130

-0.023

23

-0.352

0.026

-0.043

24

0.259

0.235

-0.048

25

0.020

-0.003

0.009

26

-0.013

-0.019

-0.007

27

-0.264

0.238

0.049

28

0.357

0.027

0.044

29

-0.177

-0.124

0.021

30

0.031

0.207

0.034

# 49

Frequency
(cm-1)
1196.06300

IR Intesity
(km/mol)
4.34800

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.32100

Diff mu_y
0.00700

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.011

-0.001

-0.013

2

0.046

-0.012

-0.004

3

0.024

0.018

0.011

4

0.025

-0.019

0.010

5

0.046

0.011

-0.004

6

-0.038

0.000

0.018

7

0.034

-0.021

-0.007

8

-0.023

0.020

0.005

9

-0.022

-0.004

0.005

10

-0.013

0.012

-0.009

11

0.024

-0.012

0.010

12

-0.033

0.009

-0.015

13

0.006

-0.042

0.001

14

0.005

0.042

0.001

15

-0.032

-0.008

-0.015

16

0.022

0.013

0.010

17

-0.012

-0.013

-0.009

18

-0.023

0.006

0.006

19

-0.024

-0.022

0.005

20

0.034

0.022

-0.006

21

0.078

-0.288

0.033

22

-0.258

0.140

0.043

23

-0.117

0.029

-0.024

24

0.108

0.070

-0.008

25

-0.146

-0.342

-0.048

26

-0.147

0.342

-0.048

27

0.095

-0.059

-0.006

28

-0.101

-0.028

-0.022

29

-0.267

-0.146

0.044

30

0.079

0.298

0.035

# 50

Frequency
(cm-1)
1215.94100

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.021

0.000

-0.004

2

-0.025

-0.010

0.003

3

0.014

0.030

-0.001

4

0.014

-0.031

-0.001

5

-0.025

0.010

0.003

6

0.007

0.000

-0.003

7

-0.004

0.005

0.001

8

0.024

0.003

-0.006

9

-0.058

0.012

0.003

10

0.027

-0.014

0.005

11

-0.013

-0.041

0.009

12

0.054

0.078

-0.001

13

-0.035

-0.029

-0.009

14

-0.035

0.029

-0.009

15

0.054

-0.078

-0.001

16

-0.013

0.041

0.009

17

0.027

0.014

0.005

18

-0.058

-0.012

0.003

19

0.024

-0.003

-0.006

20

-0.004

-0.005

0.001

21

-0.005

0.009

-0.005

22

0.161

-0.069

-0.043

23

0.186

-0.035

0.051

24

-0.195

-0.216

0.074

25

-0.146

-0.258

-0.077

26

-0.146

0.258

-0.077

27

-0.195

0.216

0.074

28

0.185

0.035

0.050

29

0.160

0.068

-0.043

30

-0.005

-0.008

-0.005

# 51

Frequency
(cm-1)
1215.94300

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.035

0.000

2

0.023

-0.020

0.002

3

-0.022

0.003

-0.004

4

0.022

0.003

0.004

5

-0.023

-0.020

-0.002

6

0.000

0.100

0.000

7

-0.013

-0.044

0.010

8

-0.039

0.004

0.007

9

0.075

-0.029

0.002

10

-0.027

0.022

-0.008

11

0.010

0.015

-0.002

12

-0.024

-0.021

-0.003

13

0.011

0.003

0.004

14

-0.011

0.003

-0.004

15

0.024

-0.021

0.003

16

-0.010

0.015

0.002

17

0.027

0.022

0.008

18

-0.076

-0.029

-0.002

19

0.039

0.004

-0.007

20

0.013

-0.044

-0.010

21

0.034

-0.307

0.079

22

-0.231

0.107

0.067

23

-0.239

0.052

-0.061

24

0.073

0.074

-0.029

25

0.047

0.073

0.020

26

-0.047

0.074

-0.020

27

-0.073

0.074

0.029

28

0.239

0.052

0.062

29

0.232

0.108

-0.067

30

-0.034

-0.307

-0.079

# 52

Frequency
(cm-1)
1238.54500

IR Intesity
(km/mol)
0.00000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.00200

Diff mu_y
0.00000

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.033

0.000

0.000

2

-0.023

0.018

0.000

3

0.011

-0.029

0.000

4

0.011

0.029

0.000

5

-0.023

-0.018

0.000

6

0.023

0.000

-0.012

7

0.014

-0.019

0.001

8

0.014

0.027

-0.005

9

-0.108

0.043

-0.004

10

0.009

-0.026

0.006

11

0.009

0.020

-0.004

12

-0.027

-0.069

0.010

13

0.017

-0.023

0.003

14

0.017

0.023

0.003

15

-0.027

0.069

0.010

16

0.009

-0.021

-0.004

17

0.009

0.026

0.006

18

-0.108

-0.043

-0.004

19

0.014

-0.027

-0.005

20

0.014

0.019

0.001

21

0.033

-0.136

0.013

22

0.173

-0.054

-0.052

23

0.256

-0.064

0.060

24

0.170

0.180

-0.045

25

0.034

0.009

0.024

26

0.035

-0.011

0.024

27

0.171

-0.181

-0.045

28

0.257

0.064

0.060

29

0.171

0.054

-0.052

30

0.033

0.134

0.013

# 53

Frequency
(cm-1)
1238.54800

IR Intesity
(km/mol)
0.00000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
-0.00200

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

0.029

0.000

2

-0.018

-0.027

0.000

3

0.029

0.008

0.000

4

-0.029

0.007

0.000

5

0.018

-0.027

0.000

6

0.000

0.122

0.000

7

-0.027

-0.011

0.006

8

0.019

-0.011

-0.002

9

-0.042

-0.009

0.012

10

-0.021

-0.016

0.001

11

0.026

-0.016

0.004

12

0.069

0.072

0.007

13

-0.023

-0.008

-0.005

14

0.023

-0.008

0.005

15

-0.069

0.072

-0.007

16

-0.026

-0.016

-0.004

17

0.021

-0.016

-0.001

18

0.043

-0.009

-0.012

19

-0.019

-0.011

0.002

20

0.027

-0.011

-0.006

21

0.009

-0.233

0.059

22

0.179

-0.094

-0.030

23

-0.063

-0.010

0.006

24

-0.055

-0.097

0.040

25

-0.136

-0.233

-0.055

26

0.136

-0.232

0.055

27

0.054

-0.095

-0.040

28

0.061

-0.010

-0.006

29

-0.180

-0.095

0.031

30

-0.009

-0.234

-0.059

# 54

Frequency
(cm-1)
1273.01100

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

-0.024

0.000

2

0.023

-0.008

0.000

3

0.014

0.020

0.000

4

-0.014

0.020

0.000

5

-0.023

-0.008

0.000

6

0.000

0.085

0.000

7

0.003

-0.003

-0.003

8

0.002

-0.003

0.003

9

-0.081

0.026

0.000

10

0.004

0.002

-0.003

11

0.004

0.001

0.003

12

-0.050

-0.069

0.000

13

-0.001

0.004

-0.003

14

0.001

0.004

0.003

15

0.050

-0.069

0.000

16

-0.004

0.001

-0.003

17

-0.004

0.002

0.003

18

0.081

0.026

0.000

19

-0.002

-0.003

-0.003

20

-0.003

-0.003

0.003

21

0.037

-0.223

0.036

22

0.200

-0.104

-0.036

23

0.223

-0.034

0.036

24

0.160

0.159

-0.036

25

0.101

0.202

0.036

26

-0.101

0.202

-0.036

27

-0.160

0.159

0.036

28

-0.223

-0.034

-0.036

29

-0.200

-0.104

0.036

30

-0.037

-0.223

-0.036

# 55

Frequency
(cm-1)
1293.67600

IR Intesity
(km/mol)
1.38600

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
-0.18100

Eigenvectors

#

X

Y

Z

1

-0.043

0.000

0.002

2

-0.013

-0.041

0.002

3

0.034

-0.025

0.002

4

0.034

0.025

0.002

5

-0.013

0.041

0.002

6

-0.047

0.000

0.021

7

-0.001

0.039

-0.008

8

0.037

-0.013

-0.008

9

-0.014

-0.044

0.021

10

-0.038

0.011

-0.008

11

0.024

0.031

-0.008

12

0.038

-0.027

0.021

13

-0.022

-0.032

-0.008

14

-0.022

0.032

-0.008

15

0.038

0.027

0.021

16

0.024

-0.031

-0.008

17

-0.038

-0.011

-0.008

18

-0.014

0.044

0.021

19

0.037

0.013

-0.008

20

-0.001

-0.039

-0.008

21

-0.031

0.226

-0.038

22

0.205

-0.099

-0.038

23

-0.225

0.040

-0.038

24

0.158

0.165

-0.038

25

-0.108

-0.201

-0.038

26

-0.108

0.201

-0.038

27

0.158

-0.165

-0.038

28

-0.225

-0.040

-0.038

29

0.205

0.099

-0.038

30

-0.031

-0.226

-0.038

# 56

Frequency
(cm-1)
1360.96000

IR Intesity
(km/mol)
9.83200

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.48200

Diff mu_y
-0.00400

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.012

-0.001

0.014

2

-0.069

0.026

0.004

3

-0.020

-0.043

-0.011

4

-0.019

0.042

-0.011

5

-0.069

-0.026

0.004

6

0.104

0.000

-0.047

7

-0.020

-0.051

0.017

8

-0.017

0.024

-0.002

9

0.047

0.020

-0.015

10

-0.001

-0.031

0.013

11

-0.004

0.047

-0.018

12

0.082

-0.030

0.038

13

-0.028

-0.036

-0.009

14

-0.029

0.036

-0.009

15

0.083

0.031

0.038

16

-0.003

-0.048

-0.018

17

-0.002

0.031

0.013

18

0.047

-0.018

-0.014

19

-0.017

-0.024

-0.003

20

-0.020

0.051

0.017

21

-0.012

-0.080

0.030

22

-0.125

0.079

0.021

23

-0.102

-0.014

-0.002

24

-0.035

0.013

-0.017

25

-0.068

-0.121

-0.031

26

-0.068

0.119

-0.032

27

-0.033

-0.014

-0.018

28

-0.104

0.013

-0.002

29

-0.124

-0.079

0.020

30

-0.013

0.078

0.030

# 57

Frequency
(cm-1)
1360.96100

IR Intesity
(km/mol)
9.83300

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.00400

Diff mu_y
0.48200

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.078

0.000

2

0.027

0.003

0.013

3

-0.042

-0.046

0.008

4

0.043

-0.047

-0.008

5

-0.026

0.003

-0.013

6

-0.001

0.041

0.000

7

0.025

-0.008

-0.008

8

-0.052

-0.012

0.018

9

0.018

0.098

-0.044

10

0.045

-0.026

0.013

11

-0.028

-0.025

0.003

12

-0.031

0.063

-0.028

13

0.040

0.000

0.016

14

-0.039

0.000

-0.016

15

0.029

0.063

0.027

16

0.028

-0.024

-0.003

17

-0.045

-0.027

-0.013

18

-0.019

0.099

0.045

19

0.052

-0.011

-0.018

20

-0.025

-0.009

0.008

21

0.043

-0.123

0.012

22

-0.042

-0.013

0.025

23

0.110

-0.033

0.032

24

-0.108

-0.103

0.028

25

0.003

-0.067

0.008

26

-0.002

-0.069

-0.008

27

0.109

-0.103

-0.027

28

-0.108

-0.034

-0.032

29

0.044

-0.011

-0.025

30

-0.043

-0.125

-0.012

# 58

Frequency
(cm-1)
1396.20100

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

-0.102

0.000

2

-0.069

0.053

-0.005

3

0.056

-0.002

0.008

4

-0.056

-0.001

-0.008

5

0.070

0.052

0.005

6

0.000

0.003

0.000

7

-0.036

0.062

-0.002

8

0.043

-0.061

0.002

9

0.008

0.017

-0.007

10

0.043

0.000

0.006

11

-0.049

-0.006

-0.006

12

0.024

-0.018

0.012

13

-0.014

0.006

-0.007

14

0.014

0.004

0.007

15

-0.023

-0.018

-0.012

16

0.050

-0.007

0.006

17

-0.044

0.000

-0.006

18

-0.008

0.017

0.007

19

-0.043

-0.061

-0.002

20

0.036

0.063

0.002

21

-0.008

-0.178

0.024

22

-0.194

0.048

0.032

23

-0.084

0.026

-0.008

24

0.072

0.124

-0.027

25

-0.029

-0.023

-0.012

26

0.026

-0.020

0.011

27

-0.073

0.126

0.027

28

0.087

0.028

0.008

29

0.194

0.048

-0.032

30

0.009

-0.179

-0.025

# 59

Frequency
(cm-1)
1396.20200

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.049

-0.001

-0.008

2

-0.070

-0.018

0.007

3

0.045

0.087

-0.002

4

0.044

-0.087

-0.003

5

-0.068

0.019

0.007

6

0.031

0.000

-0.013

7

-0.027

0.016

0.007

8

0.023

-0.007

-0.007

9

-0.006

-0.024

0.010

10

0.061

0.025

-0.004

11

-0.053

-0.029

0.004

12

-0.009

0.004

-0.004

13

-0.004

-0.077

0.000

14

-0.003

0.077

0.000

15

-0.009

-0.004

-0.004

16

-0.052

0.029

0.004

17

0.060

-0.025

-0.004

18

-0.006

0.025

0.010

19

0.022

0.006

-0.007

20

-0.026

-0.015

0.007

21

-0.013

-0.095

0.020

22

-0.028

0.015

-0.002

23

-0.167

0.071

-0.031

24

0.080

0.117

-0.017

25

0.126

0.153

0.030

26

0.127

-0.154

0.030

27

0.079

-0.115

-0.017

28

-0.166

-0.070

-0.031

29

-0.025

-0.014

-0.002

30

-0.013

0.092

0.020

# 60

Frequency
(cm-1)
1460.52800

IR Intesity
(km/mol)
2.77500

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00100

Diff mu_y
0.25600

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

0.061

0.000

2

-0.044

-0.074

0.018

3

0.071

0.010

0.011

4

-0.071

0.009

-0.011

5

0.044

-0.074

-0.018

6

0.000

0.014

0.000

7

0.020

-0.055

0.005

8

-0.028

0.042

-0.004

9

0.002

0.019

-0.009

10

0.083

0.019

-0.002

11

-0.078

-0.041

0.002

12

-0.003

0.016

-0.006

13

-0.011

-0.003

-0.006

14

0.011

-0.003

0.006

15

0.003

0.016

0.006

16

0.078

-0.041

-0.002

17

-0.083

0.019

0.001

18

-0.002

0.019

0.009

19

0.028

0.042

0.004

20

-0.020

-0.054

-0.005

21

0.002

0.114

-0.011

22

0.060

0.005

-0.012

23

-0.112

0.062

-0.019

24

0.074

0.129

-0.019

25

0.010

0.037

0.000

26

-0.010

0.037

0.000

27

-0.074

0.129

0.019

28

0.112

0.062

0.019

29

-0.060

0.005

0.012

30

-0.001

0.114

0.011

# 61

Frequency
(cm-1)
1460.53700

IR Intesity
(km/mol)
2.77400

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.25600

Diff mu_y
-0.00100

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

-0.088

0.000

0.019

2

0.047

-0.043

0.006

3

-0.037

0.071

-0.016

4

-0.036

-0.071

-0.015

5

0.046

0.044

0.006

6

0.020

0.000

-0.010

7

0.039

-0.060

-0.003

8

-0.057

0.051

0.004

9

0.014

0.002

-0.003

10

-0.034

0.004

-0.006

11

0.026

0.001

0.005

12

0.018

-0.003

0.008

13

-0.012

-0.091

0.000

14

-0.012

0.091

0.000

15

0.018

0.003

0.008

16

0.026

-0.001

0.005

17

-0.034

-0.004

-0.006

18

0.014

-0.002

-0.003

19

-0.057

-0.052

0.004

20

0.039

0.060

-0.003

21

0.025

0.095

-0.016

22

0.134

-0.034

-0.016

23

0.077

-0.018

0.006

24

0.010

-0.020

0.006

25

0.102

0.104

0.020

26

0.102

-0.104

0.020

27

0.010

0.019

0.006

28

0.077

0.018

0.006

29

0.134

0.034

-0.016

30

0.025

-0.096

-0.016

# 62

Frequency
(cm-1)
1461.97100

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.002

0.000

0.001

2

-0.013

0.003

-0.001

3

0.012

0.017

0.000

4

0.012

-0.017

0.000

5

-0.013

-0.003

-0.001

6

0.015

0.000

-0.012

7

-0.021

-0.071

0.020

8

0.070

0.006

-0.020

9

-0.015

-0.008

0.009

10

-0.045

0.022

-0.012

11

-0.002

-0.040

0.013

12

0.007

0.017

-0.004

13

-0.002

0.013

-0.001

14

-0.001

-0.014

-0.001

15

0.007

-0.017

-0.004

16

-0.002

0.041

0.013

17

-0.045

-0.023

-0.012

18

-0.014

0.008

0.009

19

0.070

-0.006

-0.020

20

-0.021

0.071

0.020

21

-0.080

0.317

-0.029

22

-0.265

0.174

0.025

23

0.210

-0.020

0.022

24

0.148

0.110

-0.011

25

-0.015

-0.010

-0.006

26

-0.016

0.013

-0.007

27

0.150

-0.112

-0.011

28

0.213

0.020

0.022

29

-0.266

-0.174

0.025

30

-0.080

-0.318

-0.029

# 63

Frequency
(cm-1)
1461.97300

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

-0.022

0.000

2

-0.016

0.006

0.001

3

0.005

0.004

-0.001

4

-0.005

0.005

0.001

5

0.017

0.006

-0.001

6

0.000

-0.019

0.000

7

0.017

0.013

-0.007

8

-0.030

0.011

0.006

9

-0.012

0.013

-0.007

10

0.041

-0.041

0.017

11

0.025

0.060

-0.017

12

0.015

-0.004

0.011

13

-0.062

-0.043

-0.021

14

0.062

-0.043

0.021

15

-0.015

-0.004

-0.011

16

-0.025

0.060

0.017

17

-0.041

-0.041

-0.017

18

0.012

0.013

0.007

19

0.029

0.011

-0.006

20

-0.017

0.012

0.007

21

0.032

-0.085

0.003

22

0.108

-0.058

-0.015

23

-0.265

0.009

-0.019

24

-0.216

-0.185

0.027

25

0.123

0.316

0.028

26

-0.123

0.315

-0.028

27

0.215

-0.184

-0.026

28

0.263

0.009

0.019

29

-0.105

-0.056

0.015

30

-0.032

-0.082

-0.002

# 64

Frequency
(cm-1)
1485.19200

IR Intesity
(km/mol)
2.12300

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
-0.22400

Eigenvectors

#

X

Y

Z

1

-0.065

0.000

0.014

2

-0.020

-0.062

0.014

3

0.052

-0.038

0.014

4

0.052

0.038

0.014

5

-0.020

0.062

0.014

6

0.024

0.000

-0.012

7

0.033

-0.062

0.000

8

-0.049

0.051

0.000

9

0.007

0.023

-0.012

10

0.070

0.012

0.000

11

-0.064

-0.031

0.000

12

-0.019

0.014

-0.012

13

0.010

0.070

0.000

14

0.010

-0.070

0.000

15

-0.019

-0.014

-0.012

16

-0.064

0.031

0.000

17

0.070

-0.012

0.000

18

0.007

-0.023

-0.012

19

-0.049

-0.051

0.000

20

0.033

0.062

0.000

21

0.018

0.094

-0.014

22

0.095

-0.012

-0.014

23

-0.084

0.046

-0.014

24

0.041

0.087

-0.014

25

-0.070

-0.066

-0.014

26

-0.070

0.066

-0.014

27

0.041

-0.087

-0.014

28

-0.084

-0.046

-0.014

29

0.095

0.012

-0.014

30

0.018

-0.094

-0.014

# 65

Frequency
(cm-1)
1499.22300

IR Intesity
(km/mol)
0.00000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
-0.00100

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.108

0.000

2

-0.089

0.011

0.009

3

-0.002

0.043

-0.015

4

0.002

0.043

0.015

5

0.088

0.011

-0.009

6

0.000

0.050

0.000

7

0.029

-0.060

0.001

8

-0.048

0.037

0.004

9

0.051

0.026

-0.018

10

-0.045

-0.013

0.003

11

0.023

0.024

-0.005

12

0.045

-0.052

0.029

13

-0.008

0.011

-0.005

14

0.008

0.011

0.005

15

-0.045

-0.052

-0.029

16

-0.023

0.024

0.005

17

0.045

-0.013

-0.003

18

-0.051

0.027

0.018

19

0.048

0.037

-0.004

20

-0.029

-0.060

-0.001

21

0.010

0.114

-0.013

22

0.060

-0.008

-0.002

23

0.119

-0.044

0.018

24

0.018

0.012

-0.009

25

-0.053

-0.076

-0.017

26

0.053

-0.076

0.017

27

-0.018

0.012

0.009

28

-0.119

-0.044

-0.019

29

-0.059

-0.008

0.002

30

-0.010

0.114

0.013

# 66

Frequency
(cm-1)
1499.22400

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

-0.028

0.000

0.015

2

-0.053

0.041

-0.013

3

0.068

0.078

0.005

4

0.068

-0.078

0.005

5

-0.054

-0.041

-0.013

6

0.070

0.000

-0.030

7

-0.005

-0.015

0.005

8

-0.015

0.027

-0.004

9

0.010

-0.063

0.025

10

-0.049

0.002

-0.005

11

0.054

0.025

0.001

12

-0.045

-0.026

-0.009

13

0.015

0.065

0.002

14

0.015

-0.065

0.002

15

-0.045

0.026

-0.009

16

0.054

-0.025

0.001

17

-0.049

-0.002

-0.005

18

0.010

0.063

0.025

19

-0.015

-0.027

-0.004

20

-0.005

0.015

0.005

21

0.005

-0.059

0.014

22

0.110

-0.034

-0.019

23

0.016

-0.015

-0.004

24

-0.068

-0.107

0.017

25

-0.062

-0.067

-0.008

26

-0.062

0.067

-0.008

27

-0.068

0.107

0.017

28

0.016

0.015

-0.004

29

0.110

0.034

-0.019

30

0.005

0.059

0.014

# 67

Frequency
(cm-1)
1499.56000

IR Intesity
(km/mol)
2.87800

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.00500

Diff mu_y
0.26100

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

-0.015

0.000

2

0.001

-0.011

0.004

3

-0.001

-0.013

0.003

4

0.002

-0.013

-0.003

5

0.000

-0.011

-0.005

6

0.000

0.074

0.000

7

-0.023

-0.050

0.015

8

0.061

-0.019

-0.011

9

-0.015

0.032

-0.008

10

-0.036

-0.004

-0.002

11

0.014

-0.020

0.007

12

0.022

0.057

-0.005

13

-0.052

-0.048

-0.016

14

0.053

-0.048

0.016

15

-0.023

0.058

0.004

16

-0.013

-0.022

-0.008

17

0.038

-0.003

0.002

18

0.012

0.031

0.008

19

-0.060

-0.020

0.011

20

0.023

-0.048

-0.014

21

-0.061

0.198

-0.011

22

-0.237

0.130

0.032

23

0.137

-0.033

0.025

24

0.039

0.003

0.010

25

0.112

0.269

0.026

26

-0.110

0.268

-0.026

27

-0.046

0.011

-0.009

28

-0.146

-0.034

-0.026

29

0.234

0.127

-0.032

30

0.060

0.190

0.010

# 68

Frequency
(cm-1)
1499.56100

IR Intesity
(km/mol)
2.87700

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.26100

Diff mu_y
0.00500

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

-0.011

0.000

0.005

2

-0.014

0.001

0.002

3

-0.012

-0.002

-0.004

4

-0.012

0.001

-0.004

5

-0.014

-0.001

0.001

6

0.027

0.001

-0.008

7

-0.008

0.050

-0.007

8

-0.036

-0.014

0.011

9

0.069

-0.013

-0.003

10

-0.054

0.038

-0.016

11

-0.035

-0.062

0.014

12

0.044

0.023

0.006

13

-0.009

0.021

-0.003

14

-0.008

-0.023

-0.003

15

0.043

-0.021

0.007

16

-0.036

0.061

0.014

17

-0.053

-0.038

-0.016

18

0.069

0.014

-0.002

19

-0.038

0.013

0.012

20

-0.007

-0.052

-0.007

21

0.031

-0.211

0.030

22

0.093

-0.080

0.000

23

0.262

-0.014

0.019

24

0.219

0.197

-0.030

25

-0.041

-0.038

-0.018

26

-0.045

0.048

-0.019

27

0.218

-0.196

-0.031

28

0.257

0.013

0.019

29

0.102

0.084

-0.001

30

0.033

0.218

0.030

# 69

Frequency
(cm-1)
1532.91600

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.015

0.000

2

-0.014

0.005

0.000

3

-0.009

-0.012

0.000

4

0.009

-0.012

0.000

5

0.014

0.005

0.000

6

0.000

-0.072

0.000

7

0.012

0.053

-0.013

8

-0.054

0.004

0.013

9

0.068

-0.022

0.000

10

-0.046

0.028

-0.013

11

-0.021

-0.050

0.013

12

0.042

0.058

0.000

13

-0.041

-0.035

-0.013

14

0.041

-0.035

0.013

15

-0.042

0.058

0.000

16

0.021

-0.050

-0.013

17

0.046

0.028

0.013

18

-0.068

-0.022

0.000

19

0.054

0.004

-0.013

20

-0.012

0.053

0.013

21

0.046

-0.167

0.012

22

0.145

-0.095

-0.012

23

0.173

-0.008

0.012

24

0.135

0.109

-0.012

25

0.061

0.162

0.012

26

-0.061

0.162

-0.012

27

-0.135

0.109

0.012

28

-0.173

-0.008

-0.012

29

-0.145

-0.095

0.012

30

-0.046

-0.167

-0.012

# 70

Frequency
(cm-1)
1668.88900

IR Intesity
(km/mol)
1.51400

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00100

Diff mu_y
0.18900

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.001

-0.062

0.000

2

0.048

0.087

-0.026

3

-0.078

-0.006

-0.016

4

0.079

-0.005

0.016

5

-0.049

0.086

0.025

6

-0.001

0.048

0.000

7

0.012

-0.043

0.004

8

-0.014

0.028

-0.003

9

-0.035

-0.060

0.028

10

0.055

0.014

-0.001

11

-0.054

-0.030

0.002

12

0.057

0.007

0.017

13

-0.013

-0.007

-0.005

14

0.013

-0.006

0.005

15

-0.057

0.006

-0.017

16

0.054

-0.030

-0.002

17

-0.055

0.014

0.001

18

0.035

-0.060

-0.028

19

0.013

0.028

0.003

20

-0.012

-0.042

-0.004

21

-0.002

0.067

-0.008

22

0.055

-0.005

-0.016

23

-0.086

0.040

-0.021

24

0.054

0.084

-0.018

25

-0.002

0.012

-0.005

26

0.003

0.011

0.005

27

-0.054

0.084

0.018

28

0.087

0.040

0.021

29

-0.054

-0.004

0.016

30

0.002

0.066

0.008

# 71

Frequency
(cm-1)
1668.89000

IR Intesity
(km/mol)
1.51500

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.18900

Diff mu_y
-0.00100

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.102

0.000

-0.027

2

-0.047

0.048

-0.008

3

0.046

-0.078

0.022

4

0.045

0.078

0.022

5

-0.046

-0.049

-0.008

6

-0.071

0.000

0.029

7

0.028

-0.036

-0.002

8

-0.043

0.035

0.003

9

0.037

-0.035

0.009

10

-0.029

0.006

-0.005

11

0.016

-0.005

0.004

12

-0.031

0.057

-0.024

13

-0.008

-0.061

-0.001

14

-0.008

0.061

-0.001

15

-0.030

-0.057

-0.023

16

0.015

0.006

0.004

17

-0.028

-0.007

-0.005

18

0.036

0.036

0.009

19

-0.043

-0.035

0.003

20

0.028

0.037

-0.002

21

0.013

0.077

-0.020

22

0.083

-0.025

-0.014

23

0.040

-0.007

0.002

24

-0.005

-0.027

0.011

25

0.067

0.077

0.021

26

0.067

-0.077

0.021

27

-0.005

0.025

0.011

28

0.038

0.006

0.001

29

0.084

0.025

-0.014

30

0.013

-0.078

-0.020

# 72

Frequency
(cm-1)
1673.50500

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.118

-0.001

-0.037

2

-0.059

-0.080

0.030

3

0.001

0.061

-0.011

4

-0.002

-0.062

-0.012

5

-0.058

0.083

0.031

6

-0.094

0.001

0.040

7

0.018

-0.003

-0.006

8

-0.018

-0.002

0.006

9

0.042

0.066

-0.032

10

-0.026

-0.013

0.004

11

0.021

0.021

-0.004

12

0.004

-0.041

0.012

13

0.006

0.034

0.000

14

0.005

-0.034

0.000

15

0.007

0.043

0.013

16

0.020

-0.021

-0.004

17

-0.025

0.013

0.004

18

0.042

-0.068

-0.033

19

-0.017

0.003

0.006

20

0.017

0.002

-0.006

21

0.007

0.055

-0.017

22

-0.018

0.001

0.011

23

0.064

-0.028

0.016

24

-0.015

-0.021

-0.001

25

-0.037

-0.044

-0.009

26

-0.038

0.045

-0.010

27

-0.014

0.019

-0.001

28

0.064

0.028

0.016

29

-0.020

-0.002

0.011

30

0.007

-0.054

-0.017

# 73

Frequency
(cm-1)
1673.50600

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.002

0.052

-0.001

2

0.018

-0.080

0.023

3

-0.100

0.054

-0.036

4

0.100

0.052

0.035

5

-0.020

-0.078

-0.021

6

-0.002

-0.033

0.001

7

-0.010

0.031

-0.002

8

0.019

-0.026

0.002

9

-0.007

0.062

-0.024

10

0.021

-0.009

0.005

11

-0.023

0.002

-0.005

12

0.079

-0.045

0.038

13

-0.015

0.003

-0.006

14

0.015

0.002

0.006

15

-0.078

-0.044

-0.038

16

0.024

0.001

0.005

17

-0.022

-0.009

-0.005

18

0.009

0.060

0.023

19

-0.020

-0.026

-0.002

20

0.011

0.031

0.002

21

-0.002

-0.042

0.004

22

-0.066

0.016

0.014

23

-0.003

-0.002

0.006

24

0.032

0.056

-0.017

25

-0.028

-0.028

-0.015

26

0.027

-0.027

0.014

27

-0.033

0.057

0.017

28

0.005

-0.001

-0.006

29

0.065

0.015

-0.013

30

0.002

-0.044

-0.005

# 74

Frequency
(cm-1)
1678.69400

IR Intesity
(km/mol)
0.00200

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
0.00000

Diff mu_y
0.00000

Diff mu_z
-0.00800

Eigenvectors

#

X

Y

Z

1

-0.084

0.000

0.019

2

-0.026

-0.080

0.019

3

0.068

-0.050

0.019

4

0.068

0.050

0.019

5

-0.026

0.080

0.019

6

0.061

0.000

-0.024

7

-0.024

0.036

0.001

8

0.027

-0.034

0.001

9

0.019

0.058

-0.024

10

-0.042

-0.011

0.001

11

0.041

0.015

0.001

12

-0.049

0.036

-0.024

13

-0.002

-0.043

0.001

14

-0.002

0.043

0.001

15

-0.049

-0.036

-0.024

16

0.041

-0.015

0.001

17

-0.042

0.011

0.001

18

0.019

-0.058

-0.024

19

0.027

0.034

0.001

20

-0.024

-0.036

0.001

21

-0.008

-0.082

0.019

22

-0.080

0.017

0.019

23

0.075

-0.033

0.019

24

-0.041

-0.071

0.019

25

0.055

0.061

0.019

26

0.055

-0.061

0.019

27

-0.041

0.071

0.019

28

0.075

0.033

0.019

29

-0.080

-0.017

0.019

30

-0.008

0.082

0.019

# 75

Frequency
(cm-1)
3174.12800

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.000

0.000

2

0.000

0.000

0.000

3

0.000

0.000

0.000

4

0.000

0.000

0.000

5

0.000

0.000

0.000

6

0.000

-0.001

0.000

7

0.024

0.003

-0.009

8

-0.010

-0.022

0.009

9

0.001

0.000

0.000

10

0.005

0.024

-0.009

11

0.018

-0.016

0.009

12

0.001

0.001

0.000

13

-0.021

0.012

-0.009

14

0.021

0.012

0.009

15

-0.001

0.001

0.000

16

-0.018

-0.016

-0.009

17

-0.005

0.024

0.009

18

-0.001

0.000

0.000

19

0.010

-0.022

-0.009

20

-0.024

0.003

0.009

21

-0.284

-0.028

0.101

22

0.114

0.261

-0.101

23

-0.061

-0.278

0.101

24

-0.213

0.189

-0.101

25

0.246

-0.144

0.101

26

-0.246

-0.144

-0.101

27

0.213

0.189

0.101

28

0.061

-0.278

-0.101

29

-0.114

0.261

0.101

30

0.284

-0.028

-0.101

# 76

Frequency
(cm-1)
3174.75900

IR Intesity
(km/mol)
6.97000

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.40600

Diff mu_y
0.00300

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

0.000

0.000

2

0.000

0.000

0.000

3

0.000

0.000

0.000

4

0.000

0.000

0.000

5

0.000

0.000

0.000

6

0.000

0.000

0.000

7

-0.019

-0.002

0.007

8

0.009

0.020

-0.008

9

-0.001

0.000

0.000

10

-0.007

-0.032

0.012

11

-0.023

0.022

-0.011

12

-0.001

0.000

0.000

13

0.001

-0.001

0.000

14

0.002

0.001

0.001

15

-0.001

0.000

0.000

16

-0.023

-0.022

-0.011

17

-0.007

0.032

0.012

18

-0.001

0.000

0.000

19

0.009

-0.019

-0.008

20

-0.018

0.002

0.007

21

0.222

0.023

-0.080

22

-0.102

-0.232

0.090

23

0.082

0.379

-0.138

24

0.280

-0.251

0.134

25

-0.013

0.009

-0.005

26

-0.018

-0.012

-0.008

27

0.282

0.252

0.135

28

0.083

-0.381

-0.139

29

-0.100

0.228

0.088

30

0.217

-0.023

-0.078

# 77

Frequency
(cm-1)
3174.76000

IR Intesity
(km/mol)
6.97300

Symmetry
-


Dipole Derivatives
(Debye)

Diff mu_x
-0.00300

Diff mu_y
-0.40600

Diff mu_z
0.00000

Eigenvectors

#

X

Y

Z

1

0.000

0.000

0.000

2

0.000

0.000

0.000

3

0.000

0.000

0.000

4

0.000

0.000

0.000

5

0.000

0.000

0.000

6

0.000

-0.001

0.000

7

0.028

0.003

-0.010

8

-0.011

-0.024

0.009

9

0.000

0.000

0.000

10

-0.002

-0.009

0.003

11

-0.009

0.008

-0.004

12

0.000

-0.001

0.000

13

0.030

-0.017

0.012

14

-0.030

-0.017

-0.012

15

0.000

-0.001

0.000

16

0.009

0.008

0.004

17

0.002

-0.008

-0.003

18

0.000

0.000

0.000

19

0.011

-0.024

-0.010

20

-0.028

0.003

0.010

21

-0.333

-0.033

0.119

22

0.127

0.286

-0.111

23

0.022

0.107

-0.039

24

0.109

-0.096

0.051

25

-0.348

0.203

-0.144

26

0.348

0.203

0.143

27

-0.104

-0.092

-0.049

28

-0.021

0.101

0.037

29

-0.128

0.289

0.113

30

0.336

-0.033

-0.120

# 78

Frequency
(cm-1)
3175.37300

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.000

0.000

0.000

2

0.000

0.000

0.000

3

0.001

0.000

0.000

4

-0.001

0.000

0.000

5

0.000

0.000

0.000

6

0.000

0.000

0.000

7

0.012

0.001

-0.004

8

-0.004

-0.009

0.004

9

0.000

0.000

0.000

10

-0.006

-0.028

0.010

11

-0.020

0.019

-0.010

12

0.000

0.000

0.000

13

-0.030

0.017

-0.012

14

0.030

0.017

0.012

15

0.000

0.000

0.000

16

0.020

0.018

0.010

17

0.006

-0.027

-0.010

18

0.000

0.000

0.000

19

0.004

-0.008

-0.003

20

-0.011

0.001

0.004

21

-0.142

-0.014

0.051

22

0.050

0.110

-0.043

23

0.070

0.329

-0.120

24

0.240

-0.217

0.115

25

0.348

-0.201

0.143

26

-0.348

-0.201

-0.143

27

-0.233

-0.211

-0.112

28

-0.069

0.321

0.117

29

-0.044

0.097

0.038

30

0.128

-0.013

-0.046

# 79

Frequency
(cm-1)
3175.37400

IR Intesity
(km/mol)
0.00000

Symmetry
-

Eigenvectors

#

X

Y

Z

1

0.001

0.000

0.000

2

0.000

-0.001

0.000

3

0.000

0.000

0.000

4

0.000

0.000

0.000

5

0.000

0.001

0.000

6

0.000

0.000

0.000

7

-0.032

-0.004

0.011

8

0.014

0.030

-0.012

9

0.000

0.000

0.000

10

0.004

0.018

-0.007

11

0.015

-0.014

0.007

12

0.000

0.000

0.000

13

-0.001

0.001

-0.001

14

0.000

0.000

0.000

15

0.000

0.000

0.000

16

0.016

0.014

0.008

17

0.004

-0.019

-0.007

18

0.000

0.000

0.000

19

0.014

-0.030

-0.012

20

-0.032

0.004

0.012

21

0.375