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Acenaphthene- (C12H10-)
Electronic States :

Energy
(eV)

-463.39253

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.04674
b
0.03865
c
0.02132

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

-68.11980

0.00000

A2

Infos

# 2

163.57350

7.03690

B1

Infos

# 3

189.90830

4.92210

B1

Infos

# 4

204.34140

0.00000

A2

Infos

# 5

318.91010

0.00000

A2

Infos

# 6

412.88970

3.20340

A1

Infos

# 7

430.19520

12.42400

B2

Infos

# 8

499.72020

0.15850

B2

Infos

# 9

511.95280

0.91120

B1

Infos

# 10

529.96710

0.40570

B1

Infos

# 11

537.58840

5.60750

A1

Infos

# 12

588.48590

0.00000

A2

Infos

# 13

636.05750

2.11990

B2

Infos

# 14

639.31610

1.26810

A1

Infos

# 15

657.27520

0.00000

A2

Infos

# 16

696.95750

157.77380

B1

Infos

# 17

730.37810

0.00000

A2

Infos

# 18

737.44490

0.00340

B1

Infos

# 19

784.87920

6.90850

B1

Infos

# 20

792.07350

1.09240

B2

Infos

# 21

795.58170

10.09920

A1

Infos

# 22

822.31390

8.62670

B1

Infos

# 23

845.90330

0.00000

A2

Infos

# 24

860.19400

1.08290

B1

Infos

# 25

940.14720

1.63750

A1

Infos

# 26

1002.52070

6.09370

A1

Infos

# 27

1006.51150

36.90810

B2

Infos

# 28

1008.46110

0.00000

A2

Infos

# 29

1030.25680

65.42160

B2

Infos

# 30

1053.20250

8.54550

A1

Infos

# 31

1130.75510

0.07290

B1

Infos

# 32

1141.37060

4.54360

B2

Infos

# 33

1167.83690

5.09490

A1

Infos

# 34

1190.59890

3.07740

B2

Infos

# 35

1222.00720

0.00000

A2

Infos

# 36

1223.27300

0.40420

A1

Infos

# 37

1224.17380

37.80250

B2

Infos

# 38

1266.88110

0.51860

A1

Infos

# 39

1284.52450

98.57480

B2

Infos

# 40

1364.82500

2.17690

B2

Infos

# 41

1378.53040

16.90300

A1

Infos

# 42

1408.55730

49.29680

B2

Infos

# 43

1434.06120

0.66570

A1

Infos

# 44

1444.14140

0.64560

B2

Infos

# 45

1451.79190

0.00090

A1

Infos

# 46

1471.57150

12.45720

B2

Infos

# 47

1499.16000

0.41990

A1

Infos

# 48

1512.13050

137.30430

B2

Infos

# 49

1537.93990

21.87260

A1

Infos

# 50

1621.47350

10.47560

A1

Infos

# 51

2977.63800

91.74870

B2

Infos

# 52

2993.38580

0.00000

A2

Infos

# 53

3000.63870

246.77820

A1

Infos

# 54

3025.03760

110.13260

B1

Infos

# 55

3122.27240

4.99970

B2

Infos

# 56

3125.17750

8.40030

A1

Infos

# 57

3142.12550

63.04190

B2

Infos

# 58

3144.43400

57.40890

A1

Infos

# 59

3159.12650

128.83970

B2

Infos

# 60

3163.14610

52.58350

A1

Infos