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Acenaphthylene+ (C12H8+)
Electronic States :

Energy
(eV)

-461.90556

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05114
b
0.03965
c
0.02233

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

175.45420

8.55090

B1

Infos

# 2

198.54980

0.00000

A2

Infos

# 3

203.77780

10.19260

B1

Infos

# 4

361.78240

0.00000

A2

Infos

# 5

414.86820

0.12550

A1

Infos

# 6

434.10370

50.68290

B2

Infos

# 7

453.30300

1.11920

B1

Infos

# 8

482.85520

0.01290

B2

Infos

# 9

518.77590

0.00000

A2

Infos

# 10

546.60460

3.11930

A1

Infos

# 11

547.17920

1.08610

B1

Infos

# 12

629.98020

0.00000

A2

Infos

# 13

679.34990

0.00590

A1

Infos

# 14

698.64370

2.62620

B2

Infos

# 15

766.83490

46.83640

B1

Infos

# 16

786.96760

2.65550

A1

Infos

# 17

792.11450

0.00000

A2

Infos

# 18

811.19930

0.55260

B1

Infos

# 19

853.48230

17.70510

B2

Infos

# 20

873.24800

85.71980

B1

Infos

# 21

930.17540

0.00000

A2

Infos

# 22

961.10160

0.00000

A2

Infos

# 23

973.16860

0.13930

B1

Infos

# 24

1014.04960

0.00000

A2

Infos

# 25

1020.34170

0.35090

B1

Infos

# 26

1041.25140

37.75520

B2

Infos

# 27

1041.52870

0.43140

A1

Infos

# 28

1068.07740

0.99570

A1

Infos

# 29

1093.00590

26.19830

A1

Infos

# 30

1113.92720

160.81210

B2

Infos

# 31

1136.77550

16.89410

B2

Infos

# 32

1207.90350

50.31840

B2

Infos

# 33

1225.66560

0.04920

A1

Infos

# 34

1253.77790

38.07320

B2

Infos

# 35

1284.82460

63.25980

A1

Infos

# 36

1351.38900

34.86860

A1

Infos

# 37

1352.41270

4.17290

B2

Infos

# 38

1376.94180

18.42770

B2

Infos

# 39

1388.79220

0.71430

A1

Infos

# 40

1436.99620

0.27560

B2

Infos

# 41

1455.22210

31.02280

A1

Infos

# 42

1477.06200

15.76500

A1

Infos

# 43

1526.05430

5.97100

B2

Infos

# 44

1590.80050

6.83320

A1

Infos

# 45

1625.86330

102.41610

A1

Infos

# 46

1652.92860

12.06930

B2

Infos

# 47

3209.60260

0.12380

B2

Infos

# 48

3210.12650

0.13710

A1

Infos

# 49

3219.26630

0.04610

B2

Infos

# 50

3219.27500

0.27110

A1

Infos

# 51

3230.87300

0.30010

B2

Infos

# 52

3230.94090

0.02390

A1

Infos

# 53

3241.35570

4.66390

B2

Infos

# 54

3253.85390

4.22690

A1

Infos