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Acenaphthylene- (C12H8-)
Electronic States :

Energy
(eV)

-462.20354

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05027
b
0.03974
c
0.02220

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

182.27490

7.21930

B1

Infos

# 2

212.92200

0.00000

A2

Infos

# 3

220.25560

3.36650

B1

Infos

# 4

350.98760

0.00000

A2

Infos

# 5

413.86810

8.35400

A1

Infos

# 6

464.15940

4.99090

B2

Infos

# 7

498.72160

0.69350

B1

Infos

# 8

507.14300

0.19630

B2

Infos

# 9

546.37620

1.33970

A1

Infos

# 10

564.46270

0.00000

A2

Infos

# 11

624.22700

0.01780

B1

Infos

# 12

658.63370

0.00000

A2

Infos

# 13

670.74410

0.30350

A1

Infos

# 14

678.70060

55.49960

B1

Infos

# 15

691.29000

0.01700

B2

Infos

# 16

692.32890

0.00000

A2

Infos

# 17

722.28630

147.92820

B1

Infos

# 18

769.67650

0.00000

A2

Infos

# 19

792.44650

0.00000

A2

Infos

# 20

797.13130

2.11970

B1

Infos

# 21

802.20490

1.28680

A1

Infos

# 22

835.72080

28.00050

B1

Infos

# 23

859.22530

0.59940

B2

Infos

# 24

899.55670

0.00000

A2

Infos

# 25

905.33340

0.21390

B1

Infos

# 26

1028.22910

30.76800

A1

Infos

# 27

1037.82900

23.21290

B2

Infos

# 28

1053.12730

3.40130

A1

Infos

# 29

1071.21000

15.00860

A1

Infos

# 30

1103.06280

2.71810

B2

Infos

# 31

1158.40900

0.03030

B2

Infos

# 32

1180.56850

14.74610

A1

Infos

# 33

1192.92480

3.95770

B2

Infos

# 34

1227.57500

8.79250

B2

Infos

# 35

1276.47730

0.20010

A1

Infos

# 36

1348.56460

32.23330

B2

Infos

# 37

1350.62400

16.76980

A1

Infos

# 38

1401.77560

9.29640

A1

Infos

# 39

1415.81290

2.44550

B2

Infos

# 40

1446.91470

4.55500

A1

Infos

# 41

1447.60510

1.25940

B2

Infos

# 42

1464.45430

14.77030

A1

Infos

# 43

1501.75080

11.38330

B2

Infos

# 44

1563.92330

16.42870

B2

Infos

# 45

1568.17790

7.89180

A1

Infos

# 46

1630.38520

23.50680

A1

Infos

# 47

3126.22650

22.55900

B2

Infos

# 48

3127.20220

9.47560

A1

Infos

# 49

3150.77760

44.70060

B2

Infos

# 50

3152.12790

42.22560

A1

Infos

# 51

3162.90830

121.39550

B2

Infos

# 52

3167.12200

55.12350

A1

Infos

# 53

3178.76590

24.94710

B2

Infos

# 54

3201.69870

47.97500

A1

Infos