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Acenaphthene (C12H10)
Electronic States :

Energy
(eV)

-463.41608

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.04671
b
0.03961
c
0.02161

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

68.47380

0.00000

A2

Infos

# 2

167.76490

1.75690

B1

Infos

# 3

215.45160

10.64710

B1

Infos

# 4

235.35980

0.00000

A2

Infos

# 5

419.36490

1.39430

A1

Infos

# 6

448.40200

0.00000

A2

Infos

# 7

448.57350

0.74200

B2

Infos

# 8

473.73330

0.12770

B1

Infos

# 9

505.99350

0.09790

B2

Infos

# 10

550.09140

1.25330

A1

Infos

# 11

559.87230

0.57410

B1

Infos

# 12

632.91570

0.00000

A2

Infos

# 13

648.68190

0.00090

A1

Infos

# 14

661.53820

4.04480

B2

Infos

# 15

759.98640

8.85470

B1

Infos

# 16

763.83410

0.00000

A2

Infos

# 17

801.84150

80.51860

B1

Infos

# 18

810.41760

0.18330

A1

Infos

# 19

832.82000

1.45500

B2

Infos

# 20

859.48320

31.85040

B1

Infos

# 21

888.40130

0.00000

A2

Infos

# 22

916.42950

0.01150

B1

Infos

# 23

957.81630

0.90840

A1

Infos

# 24

975.91540

0.00000

A2

Infos

# 25

985.25230

2.38660

B1

Infos

# 26

1021.57560

0.00000

A2

Infos

# 27

1024.00620

1.70980

A1

Infos

# 28

1037.53470

6.96860

B2

Infos

# 29

1061.97790

0.18400

A1

Infos

# 30

1107.02000

1.02940

B2

Infos

# 31

1164.83940

0.11040

B1

Infos

# 32

1173.97250

0.39120

B2

Infos

# 33

1193.33340

2.98110

A1

Infos

# 34

1232.06840

0.91300

B2

Infos

# 35

1233.95230

0.00000

A2

Infos

# 36

1242.63810

0.15400

A1

Infos

# 37

1253.82650

0.69360

B2

Infos

# 38

1285.94650

0.26360

A1

Infos

# 39

1308.68040

2.01950

B2

Infos

# 40

1397.11940

0.81310

B2

Infos

# 41

1402.41300

19.54000

A1

Infos

# 42

1447.00450

0.23970

A1

Infos

# 43

1465.40620

2.64210

B2

Infos

# 44

1476.93210

2.30720

A1

Infos

# 45

1492.93500

5.03530

A1

Infos

# 46

1502.50290

1.38140

B2

Infos

# 47

1539.10410

3.56980

B2

Infos

# 48

1643.31310

4.51510

A1

Infos

# 49

1651.23730

22.85190

A1

Infos

# 50

1669.31180

12.16390

B2

Infos

# 51

3059.80920

16.18020

B2

Infos

# 52

3069.47100

44.61360

A1

Infos

# 53

3094.54220

0.00000

A2

Infos

# 54

3113.39680

29.04870

B1

Infos

# 55

3177.47220

0.54500

B2

Infos

# 56

3177.76510

2.62590

A1

Infos

# 57

3189.35670

4.31560

B2

Infos

# 58

3190.00220

21.17730

A1

Infos

# 59

3202.18740

39.94230

B2

Infos

# 60

3203.58880

12.93870

A1

Infos