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

Energy
(eV)

-1151.40111

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.00787
b
0.00606
c
0.00342

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

50.50660

0.00000

A2

Infos

# 2

72.78630

2.27250

B1

Infos

# 3

105.66380

10.65720

B1

Infos

# 4

122.08920

0.00000

A2

Infos

# 5

142.57280

0.56580

B1

Infos

# 6

195.34370

0.67760

B1

Infos

# 7

217.00260

0.00000

A2

Infos

# 8

263.05710

0.30240

B1

Infos

# 9

267.79590

0.00000

A2

Infos

# 10

290.23280

0.00090

B2

Infos

# 11

295.11780

0.00670

A1

Infos

# 12

312.20620

2.43810

B2

Infos

# 13

323.45000

0.00000

A2

Infos

# 14

327.78340

1.33000

B1

Infos

# 15

337.58700

0.00000

A2

Infos

# 16

341.29620

1.61100

A1

Infos

# 17

408.37610

1.79680

B1

Infos

# 18

413.70100

0.03050

A1

Infos

# 19

429.61620

2.00890

A1

Infos

# 20

443.20130

0.33080

A1

Infos

# 21

445.84390

0.00000

A2

Infos

# 22

474.73820

29.24300

B2

Infos

# 23

491.53420

0.00000

A2

Infos

# 24

503.80960

4.88410

B1

Infos

# 25

507.29790

9.39890

B2

Infos

# 26

522.99480

0.05060

B2

Infos

# 27

529.69620

0.86760

B1

Infos

# 28

534.49120

0.01830

A1

Infos

# 29

545.27280

0.00000

A2

Infos

# 30

554.46610

15.16670

B1

Infos

# 31

611.61950

3.01340

B2

Infos

# 32

615.80590

6.56260

A1

Infos

# 33

625.86860

2.77500

B2

Infos

# 34

628.32270

4.09460

B1

Infos

# 35

649.82070

0.00000

A2

Infos

# 36

657.83040

5.75620

B2

Infos

# 37

685.90750

0.00000

A2

Infos

# 38

708.40320

5.73960

B2

Infos

# 39

708.43800

6.10190

A1

Infos

# 40

719.08450

0.00000

A2

Infos

# 41

744.91180

28.93410

B1

Infos

# 42

754.93340

0.00000

A2

Infos

# 43

760.26680

3.56730

A1

Infos

# 44

762.92650

71.95920

B2

Infos

# 45

798.42360

46.97820

B1

Infos

# 46

827.12000

0.02810

B1

Infos

# 47

829.51780

2.89660

A1

Infos

# 48

832.38410

0.00000

A2

Infos

# 49

834.50630

14.93750

B1

Infos

# 50

854.87230

0.00000

A2

Infos

# 51

883.97760

32.31660

B1

Infos

# 52

895.89650

0.05780

B2

Infos

# 53

907.36610

29.80090

B2

Infos

# 54

915.55530

17.76130

B2

Infos

# 55

926.19920

0.00000

A2

Infos

# 56

937.22100

55.32560

B1

Infos

# 57

966.03380

0.00000

A2

Infos

# 58

971.64510

29.20100

B1

Infos

# 59

973.66220

0.08370

A1

Infos

# 60

982.58260

0.00000

A2

Infos

# 61

1004.33420

3.96370

B1

Infos

# 62

1005.55160

0.00000

A2

Infos

# 63

1007.64200

0.00000

A2

Infos

# 64

1020.19650

0.00000

A2

Infos

# 65

1021.41080

0.23830

B1

Infos

# 66

1028.06020

1.62950

A1

Infos

# 67

1071.19320

260.48730

B2

Infos

# 68

1073.13510

0.04300

A1

Infos

# 69

1108.53520

88.02530

B2

Infos

# 70

1113.00310

18.47770

A1

Infos

# 71

1133.51840

5.63560

A1

Infos

# 72

1143.88060

8.17460

B2

Infos

# 73

1161.07110

22.22770

B2

Infos

# 74

1171.38020

39.49400

A1

Infos

# 75

1204.79930

66.45660

B2

Infos

# 76

1216.21710

41.42610

A1

Infos

# 77

1221.21720

5.74980

A1

Infos

# 78

1230.03870

10.15160

B2

Infos

# 79

1232.02540

7.36450

A1

Infos

# 80

1249.79170

10.70440

B2

Infos

# 81

1257.20640

177.11270

B2

Infos

# 82

1288.03280

120.24230

A1

Infos

# 83

1301.53630

103.02270

A1

Infos

# 84

1315.07300

1.19070

B2

Infos

# 85

1347.46200

70.66420

A1

Infos

# 86

1354.14140

242.19890

B2

Infos

# 87

1371.56660

11.87060

A1

Infos

# 88

1385.20290

141.89390

B2

Infos

# 89

1408.92530

7.39270

A1

Infos

# 90

1410.06830

87.58080

B2

Infos

# 91

1412.23290

5.44400

A1

Infos

# 92

1420.79830

2.99180

A1

Infos

# 93

1436.02860

12.31550

A1

Infos

# 94

1451.08300

21.18690

B2

Infos

# 95

1452.74400

0.12030

B2

Infos

# 96

1462.83370

2.33610

A1

Infos

# 97

1463.59130

58.30350

B2

Infos

# 98

1472.83470

5.19500

A1

Infos

# 99

1483.11350

7.06090

A1

Infos

# 100

1501.88610

12.63690

B2

Infos

# 101

1521.60270

80.09730

A1

Infos

# 102

1522.28050

20.09550

B2

Infos

# 103

1531.26010

4.27770

A1

Infos

# 104

1539.21710

0.80840

B2

Infos

# 105

1557.33610

7.62020

B2

Infos

# 106

1571.27940

140.36250

A1

Infos

# 107

1572.47190

7.86180

B2

Infos

# 108

1584.00030

187.51550

A1

Infos

# 109

1587.18210

81.93360

B2

Infos

# 110

1605.59280

69.57580

A1

Infos

# 111

1633.24710

40.44160

A1

Infos

# 112

1648.89930

0.89640

B2

Infos

# 113

3208.02060

1.50390

B2

Infos

# 114

3208.24330

0.07920

A1

Infos

# 115

3211.66010

0.71490

B2

Infos

# 116

3212.94170

1.60340

A1

Infos

# 117

3213.16070

0.32510

B2

Infos

# 118

3214.25340

4.15340

B2

Infos

# 119

3214.83060

0.00710

A1

Infos

# 120

3222.09270

2.75200

A1

Infos

# 121

3223.67140

0.00440

B2

Infos

# 122

3224.94310

2.35360

B2

Infos

# 123

3225.22620

2.52900

A1

Infos

# 124

3230.57730

1.52020

A1

Infos

# 125

3235.38410

3.49340

B2

Infos

# 126

3245.93180

0.54400

A1

Infos