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Acenaphthylene (C12H8)
Electronic States :

Energy
(eV)

-462.18427

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05006
b
0.04047
c
0.02238

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

165.23920

7.60030

B1

Infos

# 2

214.54120

0.00000

A2

Infos

# 3

229.21730

5.16190

B1

Infos

# 4

377.94890

0.00000

A2

Infos

# 5

417.56430

1.85460

A1

Infos

# 6

461.08190

1.40600

B2

Infos

# 7

462.16190

0.00120

B1

Infos

# 8

513.72780

1.33240

B2

Infos

# 9

559.23970

3.19940

A1

Infos

# 10

585.01700

0.00000

A2

Infos

# 11

622.56970

0.27170

B1

Infos

# 12

672.20580

0.43880

A1

Infos

# 13

681.38000

0.00000

A2

Infos

# 14

692.80960

0.07690

B2

Infos

# 15

751.61690

59.47260

B1

Infos

# 16

772.59030

0.00000

A2

Infos

# 17

791.33250

40.61200

B1

Infos

# 18

812.84320

0.20560

A1

Infos

# 19

860.10090

66.39770

B1

Infos

# 20

872.27680

5.09450

B2

Infos

# 21

919.71360

0.00000

A2

Infos

# 22

931.72210

1.90280

B1

Infos

# 23

933.98310

0.00000

A2

Infos

# 24

981.20150

0.00000

A2

Infos

# 25

988.42610

2.05910

B1

Infos

# 26

1034.18320

1.50040

B2

Infos

# 27

1035.31320

0.11130

A1

Infos

# 28

1053.91020

2.91010

A1

Infos

# 29

1096.97780

14.36560

A1

Infos

# 30

1113.63670

1.30880

B2

Infos

# 31

1173.43390

4.46850

B2

Infos

# 32

1200.98780

4.43910

A1

Infos

# 33

1224.88190

1.81030

B2

Infos

# 34

1246.09070

8.46050

B2

Infos

# 35

1274.25330

1.88950

A1

Infos

# 36

1334.50360

0.39110

B2

Infos

# 37

1393.10550

0.68050

A1

Infos

# 38

1424.26860

4.22050

B2

Infos

# 39

1442.42390

4.32190

A1

Infos

# 40

1476.36770

36.04220

A1

Infos

# 41

1495.88470

12.94890

B2

Infos

# 42

1517.76810

15.67720

B2

Infos

# 43

1536.60880

14.00870

A1

Infos

# 44

1642.39000

0.26030

A1

Infos

# 45

1665.54210

1.88710

A1

Infos

# 46

1668.60910

2.07760

B2

Infos

# 47

3181.92360

0.33150

B2

Infos

# 48

3182.44350

0.91830

A1

Infos

# 49

3192.52690

3.50180

B2

Infos

# 50

3193.06180

17.26570

A1

Infos

# 51

3206.12600

38.84600

B2

Infos

# 52

3207.22290

10.81850

A1

Infos

# 53

3224.78540

0.34180

B2

Infos

# 54

3245.69050

10.46580

A1

Infos