Loading...
Fluorene (C13H10)
Electronic States :

Energy
(eV)

-501.53039

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.07216
b
0.01945
c
0.01536

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

100.13340

0.72060

B1

Infos

# 2

138.79650

0.00000

A2

Infos

# 3

213.67980

0.22030

A1

Infos

# 4

239.76200

8.56850

B1

Infos

# 5

277.10850

0.00000

A2

Infos

# 6

420.17270

0.39150

A1

Infos

# 7

421.19640

6.98610

B1

Infos

# 8

438.96590

0.00000

A2

Infos

# 9

475.22320

0.76510

B1

Infos

# 10

494.42570

0.32090

B2

Infos

# 11

548.87230

0.14950

B2

Infos

# 12

575.64790

0.00000

A2

Infos

# 13

629.39070

8.76040

B2

Infos

# 14

640.13810

0.65810

A1

Infos

# 15

707.16400

5.23870

B1

Infos

# 16

738.91250

0.00000

A2

Infos

# 17

754.10460

141.75260

B1

Infos

# 18

755.86890

0.05580

A1

Infos

# 19

792.64850

0.00000

A2

Infos

# 20

812.72290

0.46740

B2

Infos

# 21

849.40500

0.20750

A1

Infos

# 22

868.78170

0.87120

B1

Infos

# 23

876.82600

0.00000

A2

Infos

# 24

929.03030

0.00710

B1

Infos

# 25

949.88560

0.00000

A2

Infos

# 26

975.35900

7.67980

B1

Infos

# 27

985.47850

0.00000

A2

Infos

# 28

987.42700

0.06380

B1

Infos

# 29

1018.58350

3.44720

B2

Infos

# 30

1042.55230

1.02700

A1

Infos

# 31

1046.70140

7.45660

B2

Infos

# 32

1112.93250

6.09590

A1

Infos

# 33

1127.41700

0.00280

B2

Infos

# 34

1157.18290

0.00000

A2

Infos

# 35

1172.02190

0.58880

B2

Infos

# 36

1175.74150

0.00050

A1

Infos

# 37

1188.71860

1.38400

B2

Infos

# 38

1208.78480

3.29210

A1

Infos

# 39

1224.99180

4.66240

B2

Infos

# 40

1261.35640

1.91020

A1

Infos

# 41

1321.48630

0.93250

A1

Infos

# 42

1326.53990

0.28930

B2

Infos

# 43

1364.51540

11.09100

B2

Infos

# 44

1395.21860

0.04860

A1

Infos

# 45

1447.85060

10.98070

A1

Infos

# 46

1477.65750

13.05450

A1

Infos

# 47

1479.03390

21.34800

B2

Infos

# 48

1508.59170

7.39760

B2

Infos

# 49

1513.36060

0.29330

A1

Infos

# 50

1628.47110

1.01790

A1

Infos

# 51

1632.68000

0.73050

B2

Infos

# 52

1660.72250

3.33360

B2

Infos

# 53

1661.09950

0.00420

A1

Infos

# 54

3049.69770

13.39610

A1

Infos

# 55

3085.68530

7.69530

B1

Infos

# 56

3178.37950

2.48320

B2

Infos

# 57

3178.95570

4.78010

A1

Infos

# 58

3184.88000

1.76370

B2

Infos

# 59

3186.63240

4.43250

A1

Infos

# 60

3196.01640

5.35440

B2

Infos

# 61

3197.42960

32.05050

A1

Infos

# 62

3209.34100

43.11000

B2

Infos

# 63

3210.03410

4.97910

A1

Infos