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Dibenzo[bc,ef]coronene (C30H14)
Electronic States :

Energy
(eV)

-1152.01388

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.00789
b
0.00605
c
0.00342

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

47.87540

0.00000

A2

Infos

# 2

74.12960

0.63300

B1

Infos

# 3

108.28720

4.61080

B1

Infos

# 4

123.12620

0.00000

A2

Infos

# 5

147.48860

0.64320

B1

Infos

# 6

202.47440

0.08670

B1

Infos

# 7

226.79340

0.00000

A2

Infos

# 8

274.54930

0.00780

B1

Infos

# 9

277.25280

0.00000

A2

Infos

# 10

297.75130

5.16210

B2

Infos

# 11

302.07990

0.25840

A1

Infos

# 12

312.71330

0.05080

B2

Infos

# 13

333.96710

0.00000

A2

Infos

# 14

343.45380

0.06600

A1

Infos

# 15

345.31740

2.44330

B1

Infos

# 16

345.44860

0.00000

A2

Infos

# 17

417.32950

0.26650

A1

Infos

# 18

426.08720

0.66460

B1

Infos

# 19

432.89970

1.98630

A1

Infos

# 20

450.30410

1.83340

A1

Infos

# 21

488.82140

0.00000

A2

Infos

# 22

492.91860

0.04670

B2

Infos

# 23

520.01650

0.26700

B2

Infos

# 24

527.03820

0.00000

A2

Infos

# 25

533.82230

0.00320

B2

Infos

# 26

535.40970

0.25020

B1

Infos

# 27

540.82000

0.28690

A1

Infos

# 28

556.82150

2.75360

B1

Infos

# 29

573.81480

15.17020

B1

Infos

# 30

607.24290

0.00000

A2

Infos

# 31

622.48240

0.00160

A1

Infos

# 32

623.37270

0.83780

B2

Infos

# 33

634.48690

0.24100

B2

Infos

# 34

645.79870

6.64780

B1

Infos

# 35

664.76260

0.00000

A2

Infos

# 36

666.09320

0.90590

B2

Infos

# 37

703.52440

0.00000

A2

Infos

# 38

711.72110

0.95230

B2

Infos

# 39

713.36460

4.19130

A1

Infos

# 40

735.83490

0.00000

A2

Infos

# 41

767.71050

0.76940

A1

Infos

# 42

768.47400

41.09730

B1

Infos

# 43

784.67610

40.06440

B1

Infos

# 44

791.70780

2.51710

B2

Infos

# 45

796.08060

0.00000

A2

Infos

# 46

825.37340

16.10440

B1

Infos

# 47

832.02510

0.48720

A1

Infos

# 48

841.31340

0.00000

A2

Infos

# 49

854.59500

0.05350

B1

Infos

# 50

874.51910

50.46660

B1

Infos

# 51

880.36760

0.00000

A2

Infos

# 52

902.78860

0.12630

B2

Infos

# 53

905.68080

40.16000

B1

Infos

# 54

911.38890

0.12370

B2

Infos

# 55

914.54240

0.00000

A2

Infos

# 56

932.11150

8.10580

B2

Infos

# 57

938.02610

0.00000

A2

Infos

# 58

943.73370

64.46050

B1

Infos

# 59

965.70050

0.00000

A2

Infos

# 60

980.30400

1.44110

A1

Infos

# 61

983.88890

0.00000

A2

Infos

# 62

986.30940

0.00680

B1

Infos

# 63

988.76260

3.03040

B1

Infos

# 64

990.25970

0.00000

A2

Infos

# 65

1029.59160

0.43710

A1

Infos

# 66

1070.87000

0.09840

A1

Infos

# 67

1090.32810

0.23270

B2

Infos

# 68

1111.99210

13.73760

A1

Infos

# 69

1126.89800

0.00000

A2

Infos

# 70

1135.61270

2.93930

B2

Infos

# 71

1149.44260

0.44690

B2

Infos

# 72

1159.87540

2.47590

A1

Infos

# 73

1175.23300

0.48860

A1

Infos

# 74

1178.09380

16.42520

B2

Infos

# 75

1196.65150

1.28160

A1

Infos

# 76

1203.06180

2.79420

B2

Infos

# 77

1215.78240

3.71560

A1

Infos

# 78

1235.46340

0.83760

B2

Infos

# 79

1238.94720

0.57780

A1

Infos

# 80

1250.91490

0.00080

B2

Infos

# 81

1289.88570

0.60780

A1

Infos

# 82

1298.08340

4.61710

B2

Infos

# 83

1298.27400

9.46950

A1

Infos

# 84

1329.26690

0.21110

A1

Infos

# 85

1330.19050

13.72720

B2

Infos

# 86

1366.39880

1.92520

A1

Infos

# 87

1370.51210

4.22130

B2

Infos

# 88

1395.68290

0.09380

A1

Infos

# 89

1401.64170

0.10080

B2

Infos

# 90

1403.64840

2.65680

A1

Infos

# 91

1417.54000

0.80110

A1

Infos

# 92

1427.41810

0.01770

B2

Infos

# 93

1440.33740

3.88510

A1

Infos

# 94

1442.98630

1.93930

B2

Infos

# 95

1454.82990

2.91690

B2

Infos

# 96

1461.41730

0.85900

A1

Infos

# 97

1469.97860

7.79000

A1

Infos

# 98

1491.91050

3.31000

B2

Infos

# 99

1495.43670

0.34030

A1

Infos

# 100

1512.59710

3.52040

B2

Infos

# 101

1528.80700

0.09530

A1

Infos

# 102

1553.10920

0.00030

A1

Infos

# 103

1554.45760

6.46290

B2

Infos

# 104

1577.73390

0.54200

B2

Infos

# 105

1619.74720

0.60430

B2

Infos

# 106

1620.05350

0.02720

A1

Infos

# 107

1627.81230

2.04730

A1

Infos

# 108

1630.82520

2.89400

B2

Infos

# 109

1652.37080

13.49900

A1

Infos

# 110

1660.01050

2.75100

B2

Infos

# 111

1661.72010

3.18640

A1

Infos

# 112

1674.20480

8.68220

B2

Infos

# 113

3180.56890

0.01920

B2

Infos

# 114

3181.45240

0.47730

A1

Infos

# 115

3183.06290

9.20640

B2

Infos

# 116

3184.24950

1.69550

B2

Infos

# 117

3184.52380

0.68820

A1

Infos

# 118

3187.03090

1.26760

B2

Infos

# 119

3187.63160

2.18240

A1

Infos

# 120

3199.05090

2.10320

A1

Infos

# 121

3200.77440

2.40790

B2

Infos

# 122

3201.45380

76.65760

B2

Infos

# 123

3202.21740

50.26580

A1

Infos

# 124

3204.50870

7.27200

A1

Infos

# 125

3214.77960

5.40060

B2

Infos

# 126

3229.90430

19.89880

A1

Infos