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Bisanthene- (C28H14-)
Electronic States :

Energy
(eV)

-1075.79841

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.00789
b
0.00755
c
0.00386

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

38.83080

0.00000

AU

Infos

# 2

84.75960

0.19530

B3U

Infos

# 3

96.15700

0.00000

B2G

Infos

# 4

110.01360

3.11750

B3U

Infos

# 5

150.42290

0.00000

B1G

Infos

# 6

186.78760

0.00000

AU

Infos

# 7

253.50690

0.00000

B2G

Infos

# 8

258.28540

0.00000

B1G

Infos

# 9

279.30990

0.19400

B3U

Infos

# 10

284.36270

0.52540

B2U

Infos

# 11

309.16190

0.00000

B3G

Infos

# 12

315.60500

0.00000

B2G

Infos

# 13

320.21220

17.94150

B1U

Infos

# 14

336.41070

0.00000

AG

Infos

# 15

349.06460

0.00000

AU

Infos

# 16

364.60550

0.00000

AG

Infos

# 17

407.58280

2.46400

B3U

Infos

# 18

432.94240

0.00000

AG

Infos

# 19

456.88400

0.80210

B2U

Infos

# 20

502.40060

3.12890

B1U

Infos

# 21

518.26010

0.00000

B3G

Infos

# 22

521.66260

0.00000

B2G

Infos

# 23

533.11780

0.00000

AU

Infos

# 24

533.89570

0.00000

B1G

Infos

# 25

546.89340

0.00000

B1G

Infos

# 26

561.60070

0.47300

B2U

Infos

# 27

573.28770

12.22900

B3U

Infos

# 28

585.93230

0.00000

B3G

Infos

# 29

610.74470

0.62920

B3U

Infos

# 30

629.46230

1.75600

B1U

Infos

# 31

631.44760

0.00000

B3G

Infos

# 32

658.67950

0.00000

AG

Infos

# 33

662.99270

0.00000

AU

Infos

# 34

665.75150

0.00000

B2G

Infos

# 35

669.92300

9.84750

B1U

Infos

# 36

701.53360

0.00000

B2G

Infos

# 37

723.22970

0.00000

AU

Infos

# 38

723.46520

14.30360

B2U

Infos

# 39

742.01430

136.36200

B3U

Infos

# 40

744.61390

0.00000

B1G

Infos

# 41

765.07300

0.00000

B2G

Infos

# 42

779.86220

0.00000

AG

Infos

# 43

783.86330

20.50080

B1U

Infos

# 44

809.59830

119.36080

B3U

Infos

# 45

810.59060

0.00000

B1G

Infos

# 46

818.48510

0.00000

B2G

Infos

# 47

838.81840

0.00000

AU

Infos

# 48

848.10200

3.01300

B3U

Infos

# 49

850.48640

0.00000

B1G

Infos

# 50

883.81330

0.00000

B2G

Infos

# 51

896.88430

45.41680

B2U

Infos

# 52

906.79710

0.00000

B3G

Infos

# 53

919.02410

19.68950

B1U

Infos

# 54

926.08430

59.91050

B3U

Infos

# 55

940.47110

0.00000

AU

Infos

# 56

943.66460

0.00000

B2G

Infos

# 57

947.30930

0.00000

B1G

Infos

# 58

948.24150

1.15870

B3U

Infos

# 59

957.90860

0.00000

AU

Infos

# 60

966.89690

0.00000

B3G

Infos

# 61

1020.77030

1.24980

B2U

Infos

# 62

1029.96070

0.00000

AG

Infos

# 63

1091.21910

2.29280

B1U

Infos

# 64

1097.91920

0.00000

B3G

Infos

# 65

1098.06720

0.00000

AG

Infos

# 66

1111.86660

44.45180

B2U

Infos

# 67

1140.26140

0.00000

B3G

Infos

# 68

1159.51580

0.00000

AG

Infos

# 69

1162.58470

26.20330

B1U

Infos

# 70

1179.66860

0.00000

B3G

Infos

# 71

1188.35590

33.90480

B2U

Infos

# 72

1205.50180

0.00000

B2G

Infos

# 73

1207.53950

0.00170

B2U

Infos

# 74

1209.92510

0.00000

AG

Infos

# 75

1228.79960

0.37130

B1U

Infos

# 76

1230.45770

0.00000

B3G

Infos

# 77

1279.02590

0.00000

AG

Infos

# 78

1288.56390

1.32230

B1U

Infos

# 79

1298.71920

160.64490

B2U

Infos

# 80

1313.30390

28.48530

B1U

Infos

# 81

1346.33860

0.00000

AG

Infos

# 82

1365.96370

25.80060

B2U

Infos

# 83

1379.26410

0.00000

AG

Infos

# 84

1384.12280

30.76310

B1U

Infos

# 85

1385.81570

0.00000

B3G

Infos

# 86

1386.12710

20.31290

B2U

Infos

# 87

1393.17430

0.00000

B3G

Infos

# 88

1398.91700

180.75930

B2U

Infos

# 89

1410.28060

0.00000

B3G

Infos

# 90

1437.71010

0.00000

AG

Infos

# 91

1450.76050

0.00000

B3G

Infos

# 92

1455.42530

0.00000

AG

Infos

# 93

1462.81000

13.65880

B2U

Infos

# 94

1471.03520

0.74150

B1U

Infos

# 95

1515.56250

11.34320

B2U

Infos

# 96

1518.39760

21.57700

B1U

Infos

# 97

1527.63670

0.00000

AG

Infos

# 98

1576.49870

0.00000

B3G

Infos

# 99

1584.72260

33.78250

B2U

Infos

# 100

1596.19250

0.00000

B3G

Infos

# 101

1602.34850

2.46390

B1U

Infos

# 102

1602.87520

0.00000

AG

Infos

# 103

1608.08880

325.45140

B2U

Infos

# 104

1611.52930

0.00000

B3G

Infos

# 105

1623.00180

0.00000

AG

Infos

# 106

1632.01260

48.38100

B1U

Infos

# 107

3155.89520

27.35810

B1U

Infos

# 108

3156.41200

0.00000

B3G

Infos

# 109

3156.83690

0.00000

AG

Infos

# 110

3157.13670

78.27040

B2U

Infos

# 111

3165.19680

6.31530

B1U

Infos

# 112

3165.39330

0.00000

AG

Infos

# 113

3178.43200

0.00000

B3G

Infos

# 114

3179.47810

66.45540

B2U

Infos

# 115

3180.04180

237.20050

B1U

Infos

# 116

3181.49280

0.00000

AG

Infos

# 117

3205.18030

0.00000

B3G

Infos

# 118

3205.33090

4.95110

B1U

Infos

# 119

3225.86350

59.01780

B2U

Infos

# 120

3226.17720

0.00000

AG

Infos