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Acenaphthene++ (C12H10++)
Electronic States :

Energy
(eV)

-462.69435

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.04734
b
0.03885
c
0.02151

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

134.89950

0.00000

A2

Infos

# 2

155.21910

3.30930

B1

Infos

# 3

174.50740

13.30190

B1

Infos

# 4

219.69080

0.00000

A2

Infos

# 5

396.62730

0.00000

A2

Infos

# 6

401.56940

4.63690

B1

Infos

# 7

406.10130

0.09260

A1

Infos

# 8

431.83460

3.53440

B2

Infos

# 9

454.35360

5.81360

B2

Infos

# 10

464.10880

4.69740

B1

Infos

# 11

539.60320

0.92750

A1

Infos

# 12

541.13990

0.00000

A2

Infos

# 13

644.44290

2.14130

A1

Infos

# 14

648.37680

8.03770

B2

Infos

# 15

668.72080

11.01900

B1

Infos

# 16

745.11860

34.77200

B1

Infos

# 17

794.31900

0.00000

A2

Infos

# 18

806.69720

0.05980

A1

Infos

# 19

830.20910

0.00030

B2

Infos

# 20

857.48500

56.52370

B1

Infos

# 21

915.24890

0.00000

A2

Infos

# 22

967.91430

16.16300

A1

Infos

# 23

977.15130

0.00000

A2

Infos

# 24

1007.42480

0.20110

B1

Infos

# 25

1011.18490

4.35810

B2

Infos

# 26

1032.05920

16.49880

A1

Infos

# 27

1037.14450

0.00000

A2

Infos

# 28

1041.13520

0.00760

B1

Infos

# 29

1073.80290

24.27020

A1

Infos

# 30

1093.34180

15.33520

B2

Infos

# 31

1118.29750

0.00000

A2

Infos

# 32

1136.56830

0.64620

B1

Infos

# 33

1147.21830

174.61160

B2

Infos

# 34

1199.99360

11.21200

B2

Infos

# 35

1215.24530

0.53950

A1

Infos

# 36

1224.96260

13.50780

A1

Infos

# 37

1254.31340

115.47910

B2

Infos

# 38

1321.08940

70.70250

A1

Infos

# 39

1327.86360

60.30760

B2

Infos

# 40

1362.10970

0.10920

B2

Infos

# 41

1367.29470

265.08220

A1

Infos

# 42

1424.84220

25.13960

B2

Infos

# 43

1430.02730

11.14080

A1

Infos

# 44

1442.59340

29.79380

A1

Infos

# 45

1463.19240

13.15080

B2

Infos

# 46

1464.80400

211.71900

A1

Infos

# 47

1504.84460

155.83790

B2

Infos

# 48

1525.86170

8.98910

A1

Infos

# 49

1588.31900

85.37070

B2

Infos

# 50

1677.65160

0.06820

A1

Infos

# 51

3008.08650

322.93830

A1

Infos

# 52

3008.81670

55.45040

B2

Infos

# 53

3033.52660

0.00000

A2

Infos

# 54

3033.96410

40.07470

B1

Infos

# 55

3205.55780

0.62810

B2

Infos

# 56

3206.05130

21.49470

A1

Infos

# 57

3216.11940

20.98180

A1

Infos

# 58

3216.13440

4.91870

B2

Infos

# 59

3228.06030

58.80360

B2

Infos

# 60

3228.29600

5.29140

A1

Infos