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Acenaphthene+ (C12H10+)
Electronic States :

Energy
(eV)

-463.14899

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.04710
b
0.03932
c
0.02160

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

108.95840

0.00000

A2

Infos

# 2

160.78250

2.28180

B1

Infos

# 3

199.44900

11.44610

B1

Infos

# 4

228.14610

0.00000

A2

Infos

# 5

412.34670

0.60890

A1

Infos

# 6

428.61030

0.00000

A2

Infos

# 7

440.35580

6.43140

B2

Infos

# 8

446.71550

0.78100

B1

Infos

# 9

476.04550

0.00210

B2

Infos

# 10

515.89050

0.10520

B1

Infos

# 11

546.08800

0.00330

A1

Infos

# 12

596.05780

0.00000

A2

Infos

# 13

648.13820

0.30540

A1

Infos

# 14

652.77890

3.84930

B2

Infos

# 15

719.79330

8.21030

B1

Infos

# 16

776.92820

51.54980

B1

Infos

# 17

782.52900

0.00000

A2

Infos

# 18

810.86720

0.01730

A1

Infos

# 19

831.72880

0.00030

B2

Infos

# 20

856.21130

46.03310

B1

Infos

# 21

916.28420

0.00000

A2

Infos

# 22

955.99760

0.21600

B1

Infos

# 23

965.57050

4.54600

A1

Infos

# 24

989.83600

0.00000

A2

Infos

# 25

1014.99440

0.00000

A2

Infos

# 26

1016.49800

0.38350

B1

Infos

# 27

1033.56510

0.05660

A1

Infos

# 28

1041.79450

7.52220

B2

Infos

# 29

1076.56420

2.66400

A1

Infos

# 30

1109.35480

3.93080

B2

Infos

# 31

1159.07610

0.23350

B1

Infos

# 32

1180.33670

8.56300

B2

Infos

# 33

1195.70700

0.00000

A2

Infos

# 34

1199.72320

96.51940

B2

Infos

# 35

1208.00000

0.78250

A1

Infos

# 36

1237.78450

2.49510

A1

Infos

# 37

1247.73700

79.07230

B2

Infos

# 38

1306.23000

12.90800

A1

Infos

# 39

1340.14010

8.27970

B2

Infos

# 40

1417.23050

12.83920

B2

Infos

# 41

1419.54910

29.10220

A1

Infos

# 42

1421.39920

31.64480

B2

Infos

# 43

1441.84010

71.98610

A1

Infos

# 44

1460.78330

7.90930

A1

Infos

# 45

1474.03260

23.47130

A1

Infos

# 46

1476.85150

0.05960

B2

Infos

# 47

1519.75770

23.46820

B2

Infos

# 48

1554.23750

20.86310

B2

Infos

# 49

1558.96240

93.01110

A1

Infos

# 50

1662.76730

8.36800

A1

Infos

# 51

3062.20070

1.11310

B2

Infos

# 52

3064.67660

19.26220

A1

Infos

# 53

3098.16540

0.00000

A2

Infos

# 54

3107.49500

0.00430

B1

Infos

# 55

3209.64040

0.02810

B2

Infos

# 56

3209.92960

0.31580

A1

Infos

# 57

3216.63140

0.27160

B2

Infos

# 58

3216.73000

0.05990

A1

Infos

# 59

3227.99540

0.02040

B2

Infos

# 60

3228.31690

0.01120

A1

Infos