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

Energy
(eV)

-693.06259

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02640
b
0.01196
c
0.00842

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

82.39490

1.43210

B

Infos

# 2

82.69880

0.11090

A

Infos

# 3

121.24500

0.28850

A

Infos

# 4

164.45350

5.15100

B

Infos

# 5

200.90590

0.02950

A

Infos

# 6

247.23130

6.33180

B

Infos

# 7

267.08880

0.08980

A

Infos

# 8

320.13630

11.78250

B

Infos

# 9

373.21130

1.09670

A

Infos

# 10

391.34570

26.69750

B

Infos

# 11

409.22070

7.43440

B

Infos

# 12

427.15590

0.33260

A

Infos

# 13

453.51130

0.06420

A

Infos

# 14

489.05030

11.87850

B

Infos

# 15

500.90840

10.24770

B

Infos

# 16

514.54190

0.00520

A

Infos

# 17

540.37030

0.71870

A

Infos

# 18

563.86610

0.11040

A

Infos

# 19

574.02830

9.48150

B

Infos

# 20

611.56100

12.96260

B

Infos

# 21

677.17230

7.38060

B

Infos

# 22

682.97380

2.87890

A

Infos

# 23

697.99580

0.63610

A

Infos

# 24

747.25380

0.15060

A

Infos

# 25

758.24460

12.52320

B

Infos

# 26

766.22440

75.39020

B

Infos

# 27

772.50550

4.63240

A

Infos

# 28

805.81330

4.37730

B

Infos

# 29

824.38560

1.00020

A

Infos

# 30

828.27560

0.15850

B

Infos

# 31

860.35980

0.04860

A

Infos

# 32

872.33010

49.96140

B

Infos

# 33

908.42820

28.90670

B

Infos

# 34

909.60830

1.05460

A

Infos

# 35

962.60520

0.73310

B

Infos

# 36

977.85830

4.57180

B

Infos

# 37

984.10490

1.88660

A

Infos

# 38

989.10420

1.42300

A

Infos

# 39

1001.17510

2.46890

B

Infos

# 40

1009.46260

2.00080

A

Infos

# 41

1013.36660

7.81280

B

Infos

# 42

1017.42780

0.00440

A

Infos

# 43

1060.85830

15.85560

B

Infos

# 44

1074.74260

0.79410

A

Infos

# 45

1126.20540

5.88730

A

Infos

# 46

1126.55040

207.06390

B

Infos

# 47

1145.71470

78.61060

B

Infos

# 48

1172.09990

3.94820

A

Infos

# 49

1185.26370

28.68160

B

Infos

# 50

1196.24320

2.57950

A

Infos

# 51

1240.26490

39.15350

B

Infos

# 52

1247.05880

53.19110

A

Infos

# 53

1256.64160

282.65060

B

Infos

# 54

1263.72970

16.26990

A

Infos

# 55

1278.91600

2.60280

B

Infos

# 56

1325.02840

4.39500

A

Infos

# 57

1347.28930

389.56430

B

Infos

# 58

1397.40960

2.10700

A

Infos

# 59

1401.76860

392.46080

B

Infos

# 60

1418.56580

3.98930

A

Infos

# 61

1448.80010

5.07290

B

Infos

# 62

1450.38340

218.64470

B

Infos

# 63

1450.46650

13.23440

A

Infos

# 64

1477.29760

0.70990

A

Infos

# 65

1481.99760

49.00860

B

Infos

# 66

1533.05930

0.06790

A

Infos

# 67

1538.52170

15.80810

B

Infos

# 68

1575.71050

161.83200

B

Infos

# 69

1598.73880

1.16030

A

Infos

# 70

1612.82300

294.31620

B

Infos

# 71

1615.09090

3.13330

A

Infos

# 72

1629.57300

0.27520

A

Infos

# 73

3204.39750

0.02050

B

Infos

# 74

3205.03770

0.01690

A

Infos

# 75

3206.58730

0.07560

B

Infos

# 76

3207.08740

0.16520

A

Infos

# 77

3215.01860

0.41320

B

Infos

# 78

3215.92250

0.11670

A

Infos

# 79

3220.23930

0.34640

B

Infos

# 80

3222.18430

0.70160

A

Infos

# 81

3226.62200

2.37000

B

Infos

# 82

3228.76170

0.19430

A

Infos

# 83

3234.35940

2.31080

B

Infos

# 84

3244.17210

0.00130

A

Infos