Loading...
Fluorene- (C13H10-)
Electronic States :

Energy
(eV)

-501.51144

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.07144
b
0.01922
c
0.01519

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

86.33650

0.00010

B1

Infos

# 2

140.21960

0.00000

A2

Infos

# 3

209.87680

0.07360

A1

Infos

# 4

215.26740

12.80380

B1

Infos

# 5

254.15700

0.00000

A2

Infos

# 6

373.41120

5.59120

B1

Infos

# 7

416.03740

0.74650

A1

Infos

# 8

447.60540

0.00000

A2

Infos

# 9

460.77210

0.89710

B1

Infos

# 10

490.51000

0.61230

B2

Infos

# 11

533.11700

0.00000

A2

Infos

# 12

538.02710

2.86200

B2

Infos

# 13

603.05010

0.03560

B2

Infos

# 14

625.42880

1.09400

A1

Infos

# 15

628.71170

155.08870

B1

Infos

# 16

637.45650

0.00000

A2

Infos

# 17

664.51040

4.95930

B1

Infos

# 18

701.74190

0.00000

A2

Infos

# 19

728.91110

1.49350

A1

Infos

# 20

731.11220

39.81340

B1

Infos

# 21

755.57800

0.00000

A2

Infos

# 22

798.89550

71.53560

B2

Infos

# 23

816.63510

11.96700

B1

Infos

# 24

825.75690

2.54480

A1

Infos

# 25

828.58860

0.00000

A2

Infos

# 26

905.47940

0.16000

B1

Infos

# 27

905.70940

0.00000

A2

Infos

# 28

953.02570

4.72810

B1

Infos

# 29

986.80690

190.89620

B2

Infos

# 30

1010.02640

0.26950

A1

Infos

# 31

1020.20410

37.78480

B2

Infos

# 32

1077.29690

16.32920

A1

Infos

# 33

1087.79120

10.72400

B2

Infos

# 34

1118.17020

9.05690

A1

Infos

# 35

1142.05880

0.00000

A2

Infos

# 36

1144.11000

18.83620

B2

Infos

# 37

1153.21190

79.12150

B2

Infos

# 38

1173.45850

0.47620

A1

Infos

# 39

1199.79790

29.63340

B2

Infos

# 40

1237.08470

8.08720

A1

Infos

# 41

1302.66270

0.02590

B2

Infos

# 42

1331.62730

23.95600

A1

Infos

# 43

1371.99840

16.10870

B2

Infos

# 44

1372.63880

9.81890

A1

Infos

# 45

1410.40240

29.66660

A1

Infos

# 46

1434.33310

17.56590

B2

Infos

# 47

1455.63860

9.01440

A1

Infos

# 48

1474.56110

10.88240

A1

Infos

# 49

1494.21040

37.58110

B2

Infos

# 50

1504.66210

85.08570

B2

Infos

# 51

1566.48350

1.46480

A1

Infos

# 52

1618.84980

277.86110

B2

Infos

# 53

1647.15630

0.04640

A1

Infos

# 54

3016.77820

55.52130

A1

Infos

# 55

3044.81320

27.21160

B1

Infos

# 56

3125.79760

71.11530

B2

Infos

# 57

3126.83830

12.65250

A1

Infos

# 58

3134.81670

92.72710

A1

Infos

# 59

3134.94000

0.79810

B2

Infos

# 60

3164.51130

2.71730

B2

Infos

# 61

3167.84040

75.45240

A1

Infos

# 62

3179.80530

96.97910

B2

Infos

# 63

3181.14590

5.79730

A1

Infos