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

Energy
(eV)

-1152.06162

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.00791
b
0.00599
c
0.00341

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

49.76090

0.00000

A2

Infos

# 2

73.10390

0.41070

B1

Infos

# 3

108.58430

2.46280

B1

Infos

# 4

126.72880

0.00000

A2

Infos

# 5

143.81440

0.49760

B1

Infos

# 6

204.08260

0.01810

B1

Infos

# 7

221.54400

0.00000

A2

Infos

# 8

270.44630

0.01960

B1

Infos

# 9

274.34150

0.00000

A2

Infos

# 10

295.38620

14.34610

B2

Infos

# 11

303.30920

1.41140

A1

Infos

# 12

311.00950

0.06740

B2

Infos

# 13

329.16980

0.00000

A2

Infos

# 14

341.20110

0.00480

A1

Infos

# 15

341.63990

4.27390

B1

Infos

# 16

348.78550

0.00000

A2

Infos

# 17

412.42540

0.70060

B1

Infos

# 18

417.53770

1.19030

A1

Infos

# 19

432.10830

2.24000

A1

Infos

# 20

449.51760

0.19030

A1

Infos

# 21

488.60980

2.05000

B2

Infos

# 22

496.79840

0.00000

A2

Infos

# 23

518.73820

0.16030

B2

Infos

# 24

525.99610

0.00000

A2

Infos

# 25

531.73270

0.61740

B2

Infos

# 26

533.47360

0.03010

B1

Infos

# 27

541.91530

2.14510

A1

Infos

# 28

559.80000

0.08450

B1

Infos

# 29

573.63620

14.95770

B1

Infos

# 30

609.64810

0.00000

A2

Infos

# 31

618.33040

5.06920

A1

Infos

# 32

619.70820

0.38660

B2

Infos

# 33

634.19680

0.24320

B2

Infos

# 34

638.12850

7.75060

B1

Infos

# 35

660.11040

0.00000

A2

Infos

# 36

666.60020

0.08050

B2

Infos

# 37

697.14410

0.00000

A2

Infos

# 38

707.11490

0.00000

A2

Infos

# 39

709.87480

13.01080

A1

Infos

# 40

712.25500

0.95100

B2

Infos

# 41

740.45330

87.26800

B1

Infos

# 42

760.18870

0.25030

B1

Infos

# 43

762.14640

2.55480

A1

Infos

# 44

767.03390

0.00000

A2

Infos

# 45

784.21620

4.04270

B2

Infos

# 46

803.25010

35.93170

B1

Infos

# 47

813.73990

0.00000

A2

Infos

# 48

813.91240

0.66150

B1

Infos

# 49

826.07600

12.83520

A1

Infos

# 50

828.23490

0.00000

A2

Infos

# 51

841.39420

3.89330

B1

Infos

# 52

848.45150

106.51240

B1

Infos

# 53

874.97310

0.00000

A2

Infos

# 54

900.28530

0.01020

B2

Infos

# 55

907.06110

0.00150

B2

Infos

# 56

915.76930

64.84920

B1

Infos

# 57

920.80800

0.00000

A2

Infos

# 58

928.14750

3.93730

B2

Infos

# 59

931.38600

0.00000

A2

Infos

# 60

943.90310

0.00000

A2

Infos

# 61

944.57740

1.53050

B1

Infos

# 62

948.44280

0.21070

B1

Infos

# 63

951.15480

0.00000

A2

Infos

# 64

971.77720

14.59050

A1

Infos

# 65

1023.85320

0.93050

A1

Infos

# 66

1067.20230

0.00240

A1

Infos

# 67

1086.09670

4.13860

B2

Infos

# 68

1105.94580

30.47040

A1

Infos

# 69

1126.82750

2.43830

B2

Infos

# 70

1136.34100

0.07360

B2

Infos

# 71

1147.48370

0.00000

A2

Infos

# 72

1153.08410

3.87480

A1

Infos

# 73

1163.97660

46.54670

B2

Infos

# 74

1167.55730

2.15570

A1

Infos

# 75

1188.80460

5.40590

B2

Infos

# 76

1191.95270

11.78110

A1

Infos

# 77

1207.75860

0.01230

A1

Infos

# 78

1227.24670

4.42550

B2

Infos

# 79

1242.31260

1.28710

B2

Infos

# 80

1242.54750

3.39530

A1

Infos

# 81

1270.17290

17.52770

A1

Infos

# 82

1283.71280

20.01660

A1

Infos

# 83

1287.40280

15.09120

B2

Infos

# 84

1312.83700

7.67290

B2

Infos

# 85

1332.16610

226.04650

A1

Infos

# 86

1356.64060

11.92990

B2

Infos

# 87

1373.58220

30.86790

A1

Infos

# 88

1380.62150

133.17650

A1

Infos

# 89

1381.33850

69.36830

B2

Infos

# 90

1391.42070

0.01360

A1

Infos

# 91

1407.97260

48.56300

A1

Infos

# 92

1413.75360

2.08890

B2

Infos

# 93

1423.12890

5.53750

A1

Infos

# 94

1433.98670

7.69870

B2

Infos

# 95

1435.80340

19.43170

B2

Infos

# 96

1445.34430

16.48650

A1

Infos

# 97

1463.09160

12.51350

A1

Infos

# 98

1467.64990

9.36020

B2

Infos

# 99

1484.36020

2.27870

A1

Infos

# 100

1491.70300

1.19900

B2

Infos

# 101

1508.77500

3.24380

A1

Infos

# 102

1524.76650

12.46520

A1

Infos

# 103

1540.71590

2.81900

B2

Infos

# 104

1556.61430

2.55400

B2

Infos

# 105

1588.69680

10.97030

A1

Infos

# 106

1589.70060

9.65420

B2

Infos

# 107

1603.52810

0.13920

B2

Infos

# 108

1605.26610

62.50710

B2

Infos

# 109

1610.38760

278.66270

A1

Infos

# 110

1631.02000

5.73280

A1

Infos

# 111

1639.28880

2.01480

B2

Infos

# 112

1642.19150

7.96480

A1

Infos

# 113

3153.84070

1.63460

B2

Infos

# 114

3155.65290

7.37190

A1

Infos

# 115

3155.93260

12.26830

B2

Infos

# 116

3156.75260

57.04170

A1

Infos

# 117

3157.12620

1.65670

B2

Infos

# 118

3165.31460

10.60750

B2

Infos

# 119

3165.34740

0.06600

A1

Infos

# 120

3175.99340

5.60540

A1

Infos

# 121

3177.93060

25.41850

B2

Infos

# 122

3179.67090

135.19060

A1

Infos

# 123

3179.85460

186.17970

B2

Infos

# 124

3181.29910

2.68230

A1

Infos

# 125

3206.56410

1.98620

B2

Infos

# 126

3227.12740

28.95300

A1

Infos