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

Energy
(eV)

-693.33037

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02652
b
0.01164
c
0.00820

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

74.80700

0.31950

B

Infos

# 2

78.65020

0.09620

A

Infos

# 3

129.51200

0.40670

A

Infos

# 4

177.60440

5.57590

B

Infos

# 5

208.06410

0.02800

A

Infos

# 6

249.81970

1.03520

B

Infos

# 7

271.42780

0.63270

A

Infos

# 8

308.51270

0.04860

B

Infos

# 9

378.31560

1.65310

A

Infos

# 10

379.39740

2.75740

B

Infos

# 11

424.39400

60.38600

B

Infos

# 12

434.43560

0.59380

A

Infos

# 13

480.86330

0.09960

A

Infos

# 14

510.01940

13.20740

B

Infos

# 15

521.41680

0.02110

A

Infos

# 16

525.16420

15.80480

B

Infos

# 17

541.73600

0.05250

A

Infos

# 18

562.71220

21.89880

B

Infos

# 19

583.23450

0.23430

A

Infos

# 20

615.06800

0.48380

B

Infos

# 21

652.69710

10.96180

B

Infos

# 22

678.16680

0.04010

A

Infos

# 23

699.77420

1.51600

A

Infos

# 24

708.06720

72.24140

B

Infos

# 25

713.56410

1.82170

A

Infos

# 26

742.54610

0.20530

A

Infos

# 27

750.22240

22.35860

B

Infos

# 28

767.84240

20.47910

B

Infos

# 29

784.34180

1.28200

A

Infos

# 30

787.04710

78.68850

B

Infos

# 31

812.15280

22.23210

B

Infos

# 32

834.14100

23.46820

B

Infos

# 33

843.01170

0.03140

A

Infos

# 34

846.03010

3.03590

A

Infos

# 35

868.40780

29.96130

B

Infos

# 36

886.53310

2.03540

A

Infos

# 37

897.51470

0.54550

A

Infos

# 38

915.19890

56.91370

B

Infos

# 39

917.00600

8.08510

B

Infos

# 40

931.43980

29.32700

B

Infos

# 41

944.58920

7.54540

A

Infos

# 42

999.47000

19.18320

A

Infos

# 43

1038.40160

32.19300

B

Infos

# 44

1066.63070

183.34040

B

Infos

# 45

1072.25260

7.11230

A

Infos

# 46

1118.67480

4.31980

A

Infos

# 47

1120.53270

75.05400

B

Infos

# 48

1141.96700

0.66740

A

Infos

# 49

1161.96040

19.55650

B

Infos

# 50

1171.78110

0.01590

A

Infos

# 51

1211.38890

1.95580

B

Infos

# 52

1224.36650

217.10410

B

Infos

# 53

1224.99790

50.65480

A

Infos

# 54

1240.38840

0.03090

A

Infos

# 55

1250.60760

226.68140

B

Infos

# 56

1304.30230

108.64070

B

Infos

# 57

1318.86750

1.72170

A

Infos

# 58

1350.47570

296.47360

B

Infos

# 59

1380.96660

0.19090

A

Infos

# 60

1400.09990

57.78070

B

Infos

# 61

1403.44540

2.29070

A

Infos

# 62

1433.88310

1.62610

A

Infos

# 63

1434.14680

227.51670

B

Infos

# 64

1463.04590

1.15500

A

Infos

# 65

1463.63600

6.67300

B

Infos

# 66

1514.12230

58.58000

A

Infos

# 67

1525.49930

15.64280

B

Infos

# 68

1560.84080

157.92920

B

Infos

# 69

1580.06630

2.82760

A

Infos

# 70

1585.33520

6.36670

A

Infos

# 71

1609.00210

216.45700

B

Infos

# 72

1623.61140

2.36120

A

Infos

# 73

3140.93920

2.59250

B

Infos

# 74

3144.02590

16.48720

A

Infos

# 75

3144.58890

0.06740

B

Infos

# 76

3146.59610

16.77810

A

Infos

# 77

3155.45800

6.98900

B

Infos

# 78

3156.06600

41.78050

A

Infos

# 79

3169.40470

14.55120

B

Infos

# 80

3172.06800

117.89620

A

Infos

# 81

3179.05700

156.13190

B

Infos

# 82

3179.99260

12.74560

A

Infos

# 83

3228.27800

8.20320

B

Infos

# 84

3251.50180

8.66310

A

Infos