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

Energy
(eV)

-1151.79167

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.00793
b
0.00604
c
0.00343

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

52.12520

0.00000

A2

Infos

# 2

73.18030

0.95380

B1

Infos

# 3

105.57830

7.51410

B1

Infos

# 4

127.80380

0.00000

A2

Infos

# 5

145.78330

0.44550

B1

Infos

# 6

199.50720

0.32160

B1

Infos

# 7

228.21890

0.00000

A2

Infos

# 8

271.50990

0.00000

A2

Infos

# 9

272.22760

0.29960

B1

Infos

# 10

296.06070

2.55390

B2

Infos

# 11

299.59920

1.53250

A1

Infos

# 12

312.25140

0.53370

B2

Infos

# 13

334.63310

0.00000

A2

Infos

# 14

341.19330

0.00000

A2

Infos

# 15

342.95470

0.00040

A1

Infos

# 16

343.58970

1.51130

B1

Infos

# 17

417.26370

1.39730

A1

Infos

# 18

421.01560

0.85260

B1

Infos

# 19

433.31560

3.11060

A1

Infos

# 20

448.21870

0.31080

A1

Infos

# 21

478.99090

0.00000

A2

Infos

# 22

492.95830

0.49500

B2

Infos

# 23

514.22350

0.00000

A2

Infos

# 24

518.38200

0.15680

B2

Infos

# 25

518.51450

1.18720

B1

Infos

# 26

531.21720

0.01910

B2

Infos

# 27

539.73550

0.35680

A1

Infos

# 28

549.29140

2.85490

B1

Infos

# 29

559.54080

17.89480

B1

Infos

# 30

594.26390

0.00000

A2

Infos

# 31

620.01650

2.90790

A1

Infos

# 32

621.32820

0.33670

B2

Infos

# 33

633.51410

0.68940

B2

Infos

# 34

638.76000

3.74110

B1

Infos

# 35

656.90380

0.00000

A2

Infos

# 36

664.86740

1.33120

B2

Infos

# 37

689.69480

0.00000

A2

Infos

# 38

712.35950

0.28180

B2

Infos

# 39

712.97860

2.03370

A1

Infos

# 40

733.14920

0.00000

A2

Infos

# 41

757.13670

26.73970

B1

Infos

# 42

764.91160

1.82020

A1

Infos

# 43

793.45680

0.25340

B2

Infos

# 44

795.44470

55.25460

B1

Infos

# 45

796.52110

0.00000

A2

Infos

# 46

827.33230

11.77980

B1

Infos

# 47

831.11190

2.12770

A1

Infos

# 48

843.51910

0.00000

A2

Infos

# 49

846.36600

1.56520

B1

Infos

# 50

860.25940

0.00000

A2

Infos

# 51

885.33490

39.11400

B1

Infos

# 52

903.81370

0.14360

B2

Infos

# 53

912.37990

0.96830

B2

Infos

# 54

917.89320

0.00000

A2

Infos

# 55

927.69920

48.41890

B1

Infos

# 56

934.18500

1.43890

B2

Infos

# 57

958.80700

0.00000

A2

Infos

# 58

962.69270

44.31150

B1

Infos

# 59

982.11130

0.18370

A1

Infos

# 60

988.41280

0.00000

A2

Infos

# 61

999.91880

0.25540

B1

Infos

# 62

1004.67050

0.00000

A2

Infos

# 63

1007.73530

0.00000

A2

Infos

# 64

1009.20560

0.82410

B1

Infos

# 65

1033.86880

0.47210

A1

Infos

# 66

1047.55800

0.00000

A2

Infos

# 67

1080.06790

0.21750

A1

Infos

# 68

1096.33070

1.11460

B2

Infos

# 69

1114.45130

0.15190

A1

Infos

# 70

1142.40700

2.03830

B2

Infos

# 71

1151.70490

0.52040

B2

Infos

# 72

1172.08080

0.29610

A1

Infos

# 73

1181.77260

0.58770

B2

Infos

# 74

1183.04780

1.24640

A1

Infos

# 75

1205.37710

1.06190

B2

Infos

# 76

1209.76240

52.46890

A1

Infos

# 77

1224.35960

41.85300

A1

Infos

# 78

1240.89390

2.15250

B2

Infos

# 79

1251.32440

0.33860

A1

Infos

# 80

1253.57980

0.36750

B2

Infos

# 81

1280.70960

96.58700

A1

Infos

# 82

1296.69780

46.02390

A1

Infos

# 83

1298.70840

0.12940

B2

Infos

# 84

1322.08430

28.63300

B2

Infos

# 85

1344.85880

98.38280

A1

Infos

# 86

1376.81320

5.94060

B2

Infos

# 87

1385.82360

13.18820

A1

Infos

# 88

1401.68110

83.63210

A1

Infos

# 89

1402.56770

51.86090

B2

Infos

# 90

1411.34500

0.03540

A1

Infos

# 91

1426.80220

33.87430

A1

Infos

# 92

1437.05440

0.11160

B2

Infos

# 93

1444.73640

5.97860

A1

Infos

# 94

1449.01990

0.45550

B2

Infos

# 95

1453.78830

9.04120

B2

Infos

# 96

1470.34990

1.59980

A1

Infos

# 97

1477.13050

2.48290

A1

Infos

# 98

1483.58910

55.08370

B2

Infos

# 99

1495.79850

11.76590

A1

Infos

# 100

1504.98160

18.37120

B2

Infos

# 101

1527.85550

0.50930

A1

Infos

# 102

1540.81260

3.83290

A1

Infos

# 103

1543.18020

0.21130

B2

Infos

# 104

1572.83850

12.20360

B2

Infos

# 105

1594.75640

16.85110

A1

Infos

# 106

1602.37760

39.84450

B2

Infos

# 107

1603.43050

0.48780

B2

Infos

# 108

1612.24920

52.43360

B2

Infos

# 109

1624.78760

55.80810

A1

Infos

# 110

1641.36740

0.54600

A1

Infos

# 111

1643.49830

62.56490

B2

Infos

# 112

1647.18590

0.00690

A1

Infos

# 113

3197.99120

0.21640

B2

Infos

# 114

3198.22720

0.10570

A1

Infos

# 115

3200.58930

0.24100

B2

Infos

# 116

3201.66430

0.00200

A1

Infos

# 117

3202.10230

0.19550

B2

Infos

# 118

3204.80080

0.02290

B2

Infos

# 119

3205.36400

0.05140

A1

Infos

# 120

3215.39380

0.07680

A1

Infos

# 121

3216.45080

3.42880

B2

Infos

# 122

3217.20650

6.68160

B2

Infos

# 123

3217.58980

9.24810

A1

Infos

# 124

3222.14280

1.82750

A1

Infos

# 125

3229.46800

0.78030

B2

Infos

# 126

3242.67310

4.80120

A1

Infos