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Benzo[c]phenanthrene++ (C18H12++)
Electronic States :

Energy
(eV)

-692.64430

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02586
b
0.01219
c
0.00851

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

77.41580

0.35790

A

Infos

# 2

84.98710

2.92000

B

Infos

# 3

116.14180

0.06930

A

Infos

# 4

139.45290

8.77240

B

Infos

# 5

188.80170

0.01170

A

Infos

# 6

220.92810

17.49160

B

Infos

# 7

251.38930

0.00500

A

Infos

# 8

302.08680

20.85420

B

Infos

# 9

358.34100

8.21950

B

Infos

# 10

365.62450

1.44340

A

Infos

# 11

397.84210

9.60170

B

Infos

# 12

412.45610

1.53030

A

Infos

# 13

425.49710

0.77280

A

Infos

# 14

468.43800

4.37680

B

Infos

# 15

475.00490

20.45020

B

Infos

# 16

506.03570

0.00120

A

Infos

# 17

524.83830

1.73860

A

Infos

# 18

542.22210

0.17160

A

Infos

# 19

561.18350

6.35800

B

Infos

# 20

601.19250

15.63560

B

Infos

# 21

662.31560

4.68630

B

Infos

# 22

673.36860

14.13770

A

Infos

# 23

694.51680

0.03720

A

Infos

# 24

724.65890

1.01250

A

Infos

# 25

750.74550

32.59700

B

Infos

# 26

763.29270

60.41590

B

Infos

# 27

777.29350

5.03390

A

Infos

# 28

802.74650

6.81020

B

Infos

# 29

822.69070

1.33200

B

Infos

# 30

827.29510

0.20040

A

Infos

# 31

855.81750

0.41710

A

Infos

# 32

888.25650

52.46320

B

Infos

# 33

917.55260

7.80920

A

Infos

# 34

930.83880

19.78270

B

Infos

# 35

957.68390

7.81890

B

Infos

# 36

976.51030

13.37150

A

Infos

# 37

993.46300

3.07810

B

Infos

# 38

999.85930

0.46490

A

Infos

# 39

1012.23780

1.03800

A

Infos

# 40

1013.11780

2.56650

B

Infos

# 41

1028.25710

0.99880

A

Infos

# 42

1028.53360

14.64990

B

Infos

# 43

1052.49240

65.10590

B

Infos

# 44

1061.21190

0.00720

A

Infos

# 45

1078.21810

138.55510

B

Infos

# 46

1115.22330

0.52680

A

Infos

# 47

1138.53920

90.12770

B

Infos

# 48

1162.69580

1.66220

A

Infos

# 49

1195.12380

34.80110

B

Infos

# 50

1203.69600

11.30440

A

Infos

# 51

1245.91080

94.28260

B

Infos

# 52

1248.04140

127.13640

A

Infos

# 53

1257.34360

91.74190

B

Infos

# 54

1270.11600

0.00010

A

Infos

# 55

1289.35060

28.15600

B

Infos

# 56

1326.05280

5.20200

A

Infos

# 57

1337.43460

170.99990

B

Infos

# 58

1391.53620

4.57040

A

Infos

# 59

1422.06070

276.13190

B

Infos

# 60

1432.83480

14.99700

A

Infos

# 61

1449.91660

68.40590

B

Infos

# 62

1451.72220

31.58820

A

Infos

# 63

1457.34950

38.76470

B

Infos

# 64

1468.11950

3.68100

A

Infos

# 65

1487.44510

106.15470

B

Infos

# 66

1527.45690

307.87320

B

Infos

# 67

1529.84920

1.70930

A

Infos

# 68

1576.96570

9.21120

A

Infos

# 69

1586.62680

297.68600

B

Infos

# 70

1590.72480

3.83680

A

Infos

# 71

1605.03180

313.24700

B

Infos

# 72

1617.84600

0.12220

A

Infos

# 73

3211.16790

0.27790

B

Infos

# 74

3211.76230

0.59480

A

Infos

# 75

3212.79750

7.12150

B

Infos

# 76

3213.77880

0.25900

A

Infos

# 77

3214.41590

6.76680

B

Infos

# 78

3220.06350

0.15830

A

Infos

# 79

3224.54730

9.38910

B

Infos

# 80

3225.37580

7.91150

B

Infos

# 81

3226.22570

0.94460

A

Infos

# 82

3227.31360

21.38020

A

Infos

# 83

3234.94760

14.64280

B

Infos

# 84

3235.47060

18.71400

A

Infos