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Acenaphthene++ (C12H10++)
Electronic States :

Energy
(eV)

-462.66505

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.04581
b
0.03964
c
0.02142

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

113.49350

0.00000

A2

Infos

# 2

149.67360

3.31170

B1

Infos

# 3

200.10190

0.00000

A2

Infos

# 4

205.72860

14.03760

B1

Infos

# 5

350.62040

1.13310

B1

Infos

# 6

377.64600

0.00000

A2

Infos

# 7

410.66340

0.00980

A1

Infos

# 8

426.39240

2.16670

B2

Infos

# 9

427.07140

0.00000

A2

Infos

# 10

491.00720

0.20820

B2

Infos

# 11

512.04120

1.18360

B1

Infos

# 12

532.32460

2.28310

A1

Infos

# 13

633.98390

0.19870

A1

Infos

# 14

648.37630

0.02210

B2

Infos

# 15

707.93000

12.34900

B1

Infos

# 16

767.03900

0.00000

A2

Infos

# 17

767.87410

4.44980

A1

Infos

# 18

768.36790

26.64580

B1

Infos

# 19

828.78620

4.47990

B2

Infos

# 20

842.52410

55.43430

B1

Infos

# 21

883.69470

0.00000

A2

Infos

# 22

946.27080

1.45080

B1

Infos

# 23

957.89460

253.12230

B2

Infos

# 24

966.82780

16.27260

A1

Infos

# 25

973.46980

0.00000

A2

Infos

# 26

998.25340

0.00000

A2

Infos

# 27

1011.01120

2.96380

B1

Infos

# 28

1017.50840

12.70030

A1

Infos

# 29

1039.47500

7.74700

A1

Infos

# 30

1095.68700

4.49960

B2

Infos

# 31

1155.44690

90.62230

A1

Infos

# 32

1157.94770

0.01980

B1

Infos

# 33

1167.03980

0.00000

A2

Infos

# 34

1177.68310

0.82860

B2

Infos

# 35

1198.74590

134.02600

B2

Infos

# 36

1226.75510

1.76120

A1

Infos

# 37

1252.37450

9.80820

B2

Infos

# 38

1285.98390

0.12460

A1

Infos

# 39

1326.72010

62.59790

A1

Infos

# 40

1337.13960

5.09650

B2

Infos

# 41

1372.96750

7.51220

B2

Infos

# 42

1408.04250

240.27890

A1

Infos

# 43

1433.39500

152.64040

B2

Infos

# 44

1436.83370

0.37460

A1

Infos

# 45

1446.13300

82.13380

B2

Infos

# 46

1468.63840

203.03780

A1

Infos

# 47

1472.63480

9.27790

A1

Infos

# 48

1478.69120

21.75060

B2

Infos

# 49

1605.84940

10.08180

A1

Infos

# 50

1637.69460

22.35990

B2

Infos

# 51

3039.41450

214.00510

A1

Infos

# 52

3040.70470

20.88930

B2

Infos

# 53

3074.22860

0.00000

A2

Infos

# 54

3078.37910

20.60730

B1

Infos

# 55

3210.88120

2.37240

A1

Infos

# 56

3211.31650

1.02610

B2

Infos

# 57

3215.91920

23.72730

B2

Infos

# 58

3216.33920

14.05850

A1

Infos

# 59

3223.44630

39.87960

B2

Infos

# 60

3224.23840

33.63560

A1

Infos