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Azulene++ (C10H8++)
Electronic States :

Energy
(eV)

-385.19090

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.09582
b
0.04041
c
0.02842

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

144.92500

0.00000

A2

Infos

# 2

145.80850

1.26650

B1

Infos

# 3

275.66010

3.09460

B1

Infos

# 4

325.60700

0.24070

B2

Infos

# 5

333.25650

0.00000

A2

Infos

# 6

370.91920

40.91750

B1

Infos

# 7

399.50220

0.38000

A1

Infos

# 8

488.44280

1.69310

B2

Infos

# 9

498.22790

0.94820

B1

Infos

# 10

672.09450

10.31820

A1

Infos

# 11

707.18940

0.00000

A2

Infos

# 12

731.71990

2.85900

B2

Infos

# 13

740.51380

24.18290

B1

Infos

# 14

835.42030

11.07030

A1

Infos

# 15

836.04620

60.32040

B1

Infos

# 16

876.50150

4.27310

A1

Infos

# 17

904.50490

0.00000

A2

Infos

# 18

944.76730

59.99380

A1

Infos

# 19

992.89010

7.42170

B1

Infos

# 20

1011.21250

1.15460

B1

Infos

# 21

1019.50510

0.00000

A2

Infos

# 22

1036.35920

5.89400

B2

Infos

# 23

1059.34650

0.00000

A2

Infos

# 24

1062.78250

1.27530

B1

Infos

# 25

1096.38320

0.00100

B2

Infos

# 26

1106.12280

11.54790

B2

Infos

# 27

1113.02490

24.10130

A1

Infos

# 28

1183.14370

114.66700

A1

Infos

# 29

1263.12750

5.81180

A1

Infos

# 30

1287.97350

5.44990

B2

Infos

# 31

1307.30550

0.00680

B2

Infos

# 32

1370.83130

1.00260

B2

Infos

# 33

1426.18220

211.85920

B2

Infos

# 34

1448.54880

1.45020

A1

Infos

# 35

1467.51200

63.95550

B2

Infos

# 36

1504.58850

15.60370

A1

Infos

# 37

1563.17120

3.75030

A1

Infos

# 38

1581.90290

54.81380

B2

Infos

# 39

1634.57910

3.83080

A1

Infos

# 40

1637.37570

2.65320

B2

Infos

# 41

3191.71060

1.33400

A1

Infos

# 42

3192.58290

3.61590

B2

Infos

# 43

3197.99060

0.23650

A1

Infos

# 44

3200.75980

39.82910

B2

Infos

# 45

3208.95630

38.17260

A1

Infos

# 46

3211.45900

3.72810

A1

Infos

# 47

3213.80520

51.07330

B2

Infos

# 48

3254.81460

76.50250

A1

Infos