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

Energy
(eV)

-692.64650

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02678
b
0.01169
c
0.00832

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

80.12220

1.61830

B

Infos

# 2

80.91570

0.09490

A

Infos

# 3

121.14550

0.00980

A

Infos

# 4

157.24080

7.44760

B

Infos

# 5

189.73750

0.10630

A

Infos

# 6

245.19150

5.36570

B

Infos

# 7

263.18420

0.41500

A

Infos

# 8

319.86950

1.32890

B

Infos

# 9

363.41150

1.36890

A

Infos

# 10

385.71750

8.57610

B

Infos

# 11

410.59550

0.36960

A

Infos

# 12

431.45880

8.43950

B

Infos

# 13

436.48540

0.12010

A

Infos

# 14

466.26390

1.53120

B

Infos

# 15

491.72390

5.28310

B

Infos

# 16

506.63550

1.00110

A

Infos

# 17

510.21640

0.48780

A

Infos

# 18

532.04140

5.48600

B

Infos

# 19

539.31810

0.03630

A

Infos

# 20

603.48000

12.92030

B

Infos

# 21

651.47120

24.48370

B

Infos

# 22

667.36110

11.43210

A

Infos

# 23

695.37200

0.55580

A

Infos

# 24

731.79850

3.26400

A

Infos

# 25

751.81560

7.68070

B

Infos

# 26

778.20690

46.06920

B

Infos

# 27

782.04470

18.30240

B

Infos

# 28

782.78120

2.10000

A

Infos

# 29

809.46900

48.22260

B

Infos

# 30

834.77420

0.00290

A

Infos

# 31

860.28960

0.49130

A

Infos

# 32

875.89650

50.25800

B

Infos

# 33

911.30870

19.05010

B

Infos

# 34

912.97380

2.50690

A

Infos

# 35

955.56520

19.81150

B

Infos

# 36

984.14090

4.26560

A

Infos

# 37

987.32160

2.22490

B

Infos

# 38

992.91400

18.44620

A

Infos

# 39

1006.21370

1.55590

B

Infos

# 40

1014.90800

12.85230

A

Infos

# 41

1024.47110

1.19190

B

Infos

# 42

1025.25500

0.23220

A

Infos

# 43

1049.36250

17.43930

B

Infos

# 44

1076.87780

0.03830

A

Infos

# 45

1112.66930

1.66740

A

Infos

# 46

1129.82110

0.33350

B

Infos

# 47

1157.97640

16.47820

B

Infos

# 48

1166.69780

2.23570

A

Infos

# 49

1197.76080

10.42410

B

Infos

# 50

1198.78940

4.24140

A

Infos

# 51

1232.14090

65.43440

A

Infos

# 52

1242.13830

23.92740

B

Infos

# 53

1256.30740

72.97220

B

Infos

# 54

1266.50470

40.22740

B

Infos

# 55

1280.49290

41.98710

A

Infos

# 56

1326.84460

2.58300

A

Infos

# 57

1385.07380

205.30750

B

Infos

# 58

1401.35460

14.71200

B

Infos

# 59

1406.24450

0.01550

A

Infos

# 60

1420.01050

0.14830

A

Infos

# 61

1437.12700

8.86270

B

Infos

# 62

1450.52040

4.56240

A

Infos

# 63

1468.50860

15.26280

B

Infos

# 64

1469.66790

19.49600

A

Infos

# 65

1523.87010

73.16020

B

Infos

# 66

1527.68890

0.27040

B

Infos

# 67

1532.92530

8.24420

A

Infos

# 68

1548.03530

121.75140

A

Infos

# 69

1559.73210

100.19590

B

Infos

# 70

1559.86200

74.63880

A

Infos

# 71

1606.57660

12.85160

A

Infos

# 72

1616.36530

75.47120

B

Infos

# 73

3211.33700

1.53160

B

Infos

# 74

3212.70360

1.68660

A

Infos

# 75

3213.75570

3.83510

B

Infos

# 76

3214.18760

0.25340

A

Infos

# 77

3219.29370

0.76710

B

Infos

# 78

3220.06810

4.23140

A

Infos

# 79

3222.63530

6.86810

B

Infos

# 80

3223.61140

17.24890

A

Infos

# 81

3232.84430

11.79930

B

Infos

# 82

3235.39840

4.23330

A

Infos

# 83

3236.94610

13.67390

B

Infos

# 84

3244.57350

4.56000

A

Infos