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Bisanthene+ (C28H14+)
Electronic States :

Energy
(eV)

-1075.52858

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.00790
b
0.00761
c
0.00388

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

42.02470

0.00000

AU

Infos

# 2

84.46760

0.16560

B3U

Infos

# 3

98.98550

0.00000

B2G

Infos

# 4

107.23980

8.25490

B3U

Infos

# 5

154.17070

0.00000

B1G

Infos

# 6

191.74450

0.00000

AU

Infos

# 7

241.80300

0.00000

B1G

Infos

# 8

260.86640

0.00000

B2G

Infos

# 9

280.00780

1.55140

B2U

Infos

# 10

293.29460

0.47890

B3U

Infos

# 11

312.14380

0.00000

B3G

Infos

# 12

319.87810

9.11430

B1U

Infos

# 13

320.58990

0.00000

B2G

Infos

# 14

333.29990

0.00000

AG

Infos

# 15

337.11640

0.00000

AU

Infos

# 16

365.16330

0.00000

AG

Infos

# 17

416.43640

1.50150

B3U

Infos

# 18

435.12430

0.00000

AG

Infos

# 19

454.62960

1.01210

B2U

Infos

# 20

494.12850

0.00000

AU

Infos

# 21

504.20790

0.00000

B1G

Infos

# 22

506.88740

0.03180

B1U

Infos

# 23

514.47960

0.00000

B2G

Infos

# 24

515.40280

0.00000

B3G

Infos

# 25

530.54440

0.00000

B1G

Infos

# 26

557.08110

5.32940

B2U

Infos

# 27

560.76120

15.91740

B3U

Infos

# 28

583.13150

0.00000

B3G

Infos

# 29

602.21170

5.13590

B3U

Infos

# 30

630.15530

1.04300

B1U

Infos

# 31

631.33540

0.00000

B3G

Infos

# 32

655.29020

0.00000

AU

Infos

# 33

663.76160

0.00000

AG

Infos

# 34

671.16070

14.39770

B1U

Infos

# 35

682.17140

0.00000

B2G

Infos

# 36

694.09020

0.00000

B2G

Infos

# 37

724.92520

0.73490

B2U

Infos

# 38

752.85440

0.00000

B1G

Infos

# 39

766.69590

0.00000

AU

Infos

# 40

779.66370

0.00000

AG

Infos

# 41

790.01180

154.38210

B3U

Infos

# 42

795.16400

0.73090

B1U

Infos

# 43

815.53390

0.00000

B2G

Infos

# 44

829.00030

0.00000

B1G

Infos

# 45

850.94920

0.00590

B3U

Infos

# 46

903.51660

0.00000

AU

Infos

# 47

908.43970

1.81070

B2U

Infos

# 48

910.51410

0.00000

B3G

Infos

# 49

910.57530

0.00000

B2G

Infos

# 50

919.61370

41.45390

B3U

Infos

# 51

925.17990

8.09720

B1U

Infos

# 52

942.67240

0.00000

B1G

Infos

# 53

965.12640

0.00000

B2G

Infos

# 54

966.70590

0.00000

AU

Infos

# 55

969.90780

31.56480

B3U

Infos

# 56

971.06950

0.00000

B3G

Infos

# 57

1004.73500

0.00000

AU

Infos

# 58

1006.87180

0.00000

B2G

Infos

# 59

1009.08800

0.00000

B1G

Infos

# 60

1010.80850

1.62000

B3U

Infos

# 61

1031.94960

0.01060

B2U

Infos

# 62

1038.81350

0.00000

AG

Infos

# 63

1101.03690

2.29320

B1U

Infos

# 64

1105.48700

0.00000

AG

Infos

# 65

1111.24430

0.00000

B3G

Infos

# 66

1121.20200

2.48160

B2U

Infos

# 67

1126.55680

0.00000

B2G

Infos

# 68

1155.73110

0.00000

B3G

Infos

# 69

1175.49950

0.00000

AG

Infos

# 70

1180.76790

5.28970

B1U

Infos

# 71

1198.66700

0.00000

B3G

Infos

# 72

1207.11420

30.41370

B2U

Infos

# 73

1224.68670

58.05880

B2U

Infos

# 74

1226.37600

0.00000

AG

Infos

# 75

1245.91650

0.00000

B3G

Infos

# 76

1246.85460

0.01420

B1U

Infos

# 77

1293.75620

0.00000

AG

Infos

# 78

1299.24090

7.97860

B1U

Infos

# 79

1312.54430

244.37450

B2U

Infos

# 80

1327.08450

23.53190

B1U

Infos

# 81

1357.11090

0.00000

AG

Infos

# 82

1372.12270

2.52330

B2U

Infos

# 83

1392.91890

0.00000

AG

Infos

# 84

1401.20230

0.00000

B3G

Infos

# 85

1403.86320

50.33640

B2U

Infos

# 86

1409.03710

28.26420

B1U

Infos

# 87

1414.84340

0.00000

B3G

Infos

# 88

1418.62720

69.76530

B2U

Infos

# 89

1435.94100

0.00000

B3G

Infos

# 90

1460.51180

0.00000

AG

Infos

# 91

1464.18230

0.00000

B3G

Infos

# 92

1476.22530

4.91150

B2U

Infos

# 93

1477.01230

0.00000

AG

Infos

# 94

1485.38460

42.95990

B1U

Infos

# 95

1529.50100

9.12200

B1U

Infos

# 96

1532.27010

0.00000

AG

Infos

# 97

1540.62420

10.68460

B2U

Infos

# 98

1589.57520

0.00000

B3G

Infos

# 99

1592.82020

11.17140

B2U

Infos

# 100

1598.97830

0.00000

B3G

Infos

# 101

1604.22200

27.57610

B1U

Infos

# 102

1619.24650

0.00000

AG

Infos

# 103

1621.77940

0.00000

B3G

Infos

# 104

1626.14730

53.82760

B2U

Infos

# 105

1632.48990

0.00000

AG

Infos

# 106

1642.69730

23.24330

B1U

Infos

# 107

3199.24630

0.34100

B1U

Infos

# 108

3199.51720

0.00000

AG

Infos

# 109

3205.13800

0.00000

B3G

Infos

# 110

3205.71740

0.02260

B2U

Infos

# 111

3205.96660

3.47930

B1U

Infos

# 112

3206.68760

0.00000

AG

Infos

# 113

3217.54210

0.00000

B3G

Infos

# 114

3217.74580

13.32030

B1U

Infos

# 115

3222.42160

3.49990

B2U

Infos

# 116

3222.83540

0.00000

AG

Infos

# 117

3229.54600

0.00000

B3G

Infos

# 118

3229.70640

0.65040

B1U

Infos

# 119

3243.02110

8.57600

B2U

Infos

# 120

3243.10740

0.00000

AG

Infos