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

Energy
(eV)

-1152.00532

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01040
b
0.00469
c
0.00323

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

48.20540

0.36680

B3U

Infos

# 2

86.16290

0.00000

AU

Infos

# 3

119.47750

6.27150

B3U

Infos

# 4

122.42120

0.00000

B2G

Infos

# 5

144.19310

0.00000

B1G

Infos

# 6

225.99180

0.15950

B3U

Infos

# 7

242.66590

0.00000

AU

Infos

# 8

245.49710

1.32920

B2U

Infos

# 9

270.59260

0.00000

B2G

Infos

# 10

278.98690

0.00000

B1G

Infos

# 11

299.50500

0.00000

AG

Infos

# 12

328.35770

0.00000

B1G

Infos

# 13

341.32610

0.55190

B3U

Infos

# 14

345.29760

0.00000

B3G

Infos

# 15

354.60640

0.00000

B2G

Infos

# 16

380.02790

0.00000

B3G

Infos

# 17

403.79460

0.00000

AU

Infos

# 18

403.96890

7.04750

B1U

Infos

# 19

427.60930

2.77380

B2U

Infos

# 20

448.55320

0.00000

AG

Infos

# 21

472.94630

0.00000

B2G

Infos

# 22

485.81860

0.00000

B3G

Infos

# 23

492.84500

2.60240

B1U

Infos

# 24

526.46210

1.09250

B3U

Infos

# 25

547.02970

0.00000

AU

Infos

# 26

556.58260

2.01610

B2U

Infos

# 27

562.35260

0.00000

B2G

Infos

# 28

565.32490

0.00000

AG

Infos

# 29

568.08730

24.24430

B3U

Infos

# 30

592.74520

0.00000

B1G

Infos

# 31

620.15850

0.00000

B3G

Infos

# 32

622.91110

1.87880

B1U

Infos

# 33

635.89680

0.00000

AG

Infos

# 34

640.91460

0.00000

AU

Infos

# 35

658.82540

0.78120

B2U

Infos

# 36

660.46480

0.00000

B3G

Infos

# 37

673.43590

0.00000

B2G

Infos

# 38

697.87570

0.00000

B1G

Infos

# 39

717.45880

6.69550

B3U

Infos

# 40

733.59670

9.37620

B1U

Infos

# 41

764.11150

0.00000

B2G

Infos

# 42

778.90470

85.66000

B3U

Infos

# 43

790.42770

0.17720

B1U

Infos

# 44

804.84080

0.00000

AG

Infos

# 45

809.32140

0.82950

B2U

Infos

# 46

818.26410

0.00000

B1G

Infos

# 47

819.30450

0.00000

AU

Infos

# 48

827.61320

0.00000

B2G

Infos

# 49

836.54700

1.77760

B3U

Infos

# 50

869.85850

38.07730

B3U

Infos

# 51

879.07430

3.67570

B1U

Infos

# 52

879.37130

0.00000

AU

Infos

# 53

887.56620

0.00000

B2G

Infos

# 54

889.17940

0.00000

B3G

Infos

# 55

890.03610

0.00000

B1G

Infos

# 56

915.96150

0.00000

AG

Infos

# 57

932.18550

0.00000

AU

Infos

# 58

933.30810

0.00000

B2G

Infos

# 59

939.81980

0.00000

B1G

Infos

# 60

945.56010

128.57010

B3U

Infos

# 61

984.03970

0.00000

B2G

Infos

# 62

984.87220

5.64810

B3U

Infos

# 63

990.04360

0.00000

AU

Infos

# 64

990.85240

0.00000

B2G

Infos

# 65

1008.85500

0.00000

B3G

Infos

# 66

1065.32750

5.76460

B1U

Infos

# 67

1070.25610

0.72910

B2U

Infos

# 68

1085.09790

0.00000

AG

Infos

# 69

1099.13800

0.00000

AG

Infos

# 70

1102.27930

0.00000

B3G

Infos

# 71

1128.87880

6.60620

B1U

Infos

# 72

1169.04510

15.11930

B2U

Infos

# 73

1185.59230

0.17120

B2U

Infos

# 74

1192.84550

4.77120

B1U

Infos

# 75

1197.34090

0.00000

B3G

Infos

# 76

1199.38980

0.00000

AG

Infos

# 77

1205.99850

8.26410

B2U

Infos

# 78

1210.31510

0.00000

B3G

Infos

# 79

1216.10400

0.00000

AG

Infos

# 80

1255.61580

6.38020

B1U

Infos

# 81

1291.60630

0.00000

B3G

Infos

# 82

1294.62390

0.11030

B2U

Infos

# 83

1323.64370

0.00000

AG

Infos

# 84

1330.95030

4.13990

B2U

Infos

# 85

1338.55920

1.02090

B1U

Infos

# 86

1367.87730

0.00000

AG

Infos

# 87

1372.19360

3.92910

B2U

Infos

# 88

1403.70640

0.00000

B3G

Infos

# 89

1418.01730

0.00000

AG

Infos

# 90

1423.10650

12.99560

B1U

Infos

# 91

1425.64920

0.00000

B3G

Infos

# 92

1439.59760

0.45300

B2U

Infos

# 93

1444.77980

3.73480

B2U

Infos

# 94

1444.79880

7.78300

B1U

Infos

# 95

1452.81130

0.00000

B3G

Infos

# 96

1465.05590

1.03700

B1U

Infos

# 97

1470.36670

0.00000

AG

Infos

# 98

1485.56550

0.00000

B3G

Infos

# 99

1497.46250

0.20080

B2U

Infos

# 100

1520.98260

0.00000

B3G

Infos

# 101

1539.10750

0.00000

AG

Infos

# 102

1539.48490

4.17170

B2U

Infos

# 103

1553.83170

9.20580

B1U

Infos

# 104

1595.11810

0.00000

AG

Infos

# 105

1608.19860

4.08650

B2U

Infos

# 106

1612.68440

24.42870

B1U

Infos

# 107

1621.25170

0.00000

B3G

Infos

# 108

1643.79320

0.00000

AG

Infos

# 109

1645.81780

0.00000

B3G

Infos

# 110

1665.92270

0.76530

B2U

Infos

# 111

1669.86570

12.94260

B1U

Infos

# 112

1673.14890

0.00000

AG

Infos

# 113

3180.09440

0.50060

B1U

Infos

# 114

3180.13470

0.00000

B3G

Infos

# 115

3182.06600

0.00000

AG

Infos

# 116

3182.52810

9.15830

B1U

Infos

# 117

3183.28630

17.53430

B2U

Infos

# 118

3184.19470

0.00000

B3G

Infos

# 119

3185.19600

0.00000

AG

Infos

# 120

3185.52980

0.11270

B1U

Infos

# 121

3193.11560

20.84870

B2U

Infos

# 122

3193.15240

0.00000

B3G

Infos

# 123

3200.69830

62.05520

B2U

Infos

# 124

3200.75910

0.00000

AG

Infos

# 125

3208.10080

79.31390

B1U

Infos

# 126

3208.27080

0.00000

AG

Infos