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Bisanthene (C28H14)
Electronic States :

Energy
(eV)

-1075.74104

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.00786
b
0.00762
c
0.00387

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

35.14100

0.00000

AU

Infos

# 2

85.92960

0.16360

B3U

Infos

# 3

87.08620

0.00000

B2G

Infos

# 4

110.08390

5.46370

B3U

Infos

# 5

155.87230

0.00000

B1G

Infos

# 6

182.72740

0.00000

AU

Infos

# 7

250.23980

0.00000

B1G

Infos

# 8

262.22930

0.00000

B2G

Infos

# 9

282.61920

0.09650

B2U

Infos

# 10

287.65260

0.01450

B3U

Infos

# 11

309.98220

0.00000

B3G

Infos

# 12

317.73410

0.00000

B2G

Infos

# 13

322.00230

9.25600

B1U

Infos

# 14

336.01050

0.00000

AG

Infos

# 15

342.34010

0.00000

AU

Infos

# 16

364.78760

0.00000

AG

Infos

# 17

423.19390

1.05980

B3U

Infos

# 18

433.57170

0.00000

AG

Infos

# 19

458.12900

1.33940

B2U

Infos

# 20

500.61640

0.00000

AU

Infos

# 21

506.77830

0.29970

B1U

Infos

# 22

516.35680

0.00000

B1G

Infos

# 23

517.88650

0.00000

B3G

Infos

# 24

524.97200

0.00000

B2G

Infos

# 25

546.02900

0.00000

B1G

Infos

# 26

560.32520

0.64850

B2U

Infos

# 27

573.08760

14.61360

B3U

Infos

# 28

585.76810

0.00000

B3G

Infos

# 29

611.67360

1.66440

B3U

Infos

# 30

630.92560

0.00000

B3G

Infos

# 31

633.69390

1.59440

B1U

Infos

# 32

661.52890

0.00000

AG

Infos

# 33

664.77410

0.00000

AU

Infos

# 34

670.81810

14.85150

B1U

Infos

# 35

680.32000

0.00000

B2G

Infos

# 36

703.81670

0.00000

B2G

Infos

# 37

725.65690

6.74130

B2U

Infos

# 38

762.30410

0.00000

AU

Infos

# 39

763.99240

0.00000

B1G

Infos

# 40

775.75620

148.05840

B3U

Infos

# 41

783.29590

0.00000

AG

Infos

# 42

794.72940

12.86410

B1U

Infos

# 43

796.88100

0.00000

B2G

Infos

# 44

826.78100

0.00000

B1G

Infos

# 45

856.28900

24.73630

B3U

Infos

# 46

884.07470

0.00000

B2G

Infos

# 47

887.45460

0.00000

AU

Infos

# 48

898.69820

40.31020

B3U

Infos

# 49

905.24820

0.19610

B2U

Infos

# 50

909.19000

0.00000

B3G

Infos

# 51

913.36860

0.00000

B1G

Infos

# 52

925.51690

13.26700

B1U

Infos

# 53

936.67620

0.00000

B2G

Infos

# 54

948.26200

47.75340

B3U

Infos

# 55

964.36410

0.00000

B3G

Infos

# 56

974.84730

0.00000

AU

Infos

# 57

983.05980

0.00000

AU

Infos

# 58

985.08150

0.00000

B2G

Infos

# 59

986.60170

0.00000

B1G

Infos

# 60

988.12030

4.48350

B3U

Infos

# 61

1026.75710

1.33520

B2U

Infos

# 62

1032.05620

0.00000

AG

Infos

# 63

1090.51610

1.58150

B1U

Infos

# 64

1101.93230

0.00000

AG

Infos

# 65

1102.66650

0.00000

B3G

Infos

# 66

1115.49000

18.78120

B2U

Infos

# 67

1147.02080

0.00000

B3G

Infos

# 68

1168.57710

0.00000

AG

Infos

# 69

1178.45200

15.15810

B1U

Infos

# 70

1183.53880

0.00000

B3G

Infos

# 71

1191.02820

0.04050

B2U

Infos

# 72

1191.44870

0.00000

B2G

Infos

# 73

1214.54990

6.16540

B2U

Infos

# 74

1216.07730

0.00000

AG

Infos

# 75

1235.30010

0.00000

B3G

Infos

# 76

1245.16720

0.11590

B1U

Infos

# 77

1292.04310

0.00000

AG

Infos

# 78

1300.48760

6.87150

B1U

Infos

# 79

1323.14730

5.88230

B2U

Infos

# 80

1336.01270

33.62920

B1U

Infos

# 81

1344.41450

2.96060

B2U

Infos

# 82

1347.74290

0.00000

AG

Infos

# 83

1380.08040

0.00000

B3G

Infos

# 84

1389.75040

0.00000

AG

Infos

# 85

1391.95720

0.05870

B2U

Infos

# 86

1396.32770

0.00000

B3G

Infos

# 87

1423.21000

0.00000

B3G

Infos

# 88

1431.70980

4.80010

B2U

Infos

# 89

1434.27830

0.07390

B1U

Infos

# 90

1450.81170

0.00000

AG

Infos

# 91

1462.67140

6.30720

B2U

Infos

# 92

1463.50520

0.00000

B3G

Infos

# 93

1483.46710

11.15230

B1U

Infos

# 94

1486.52810

0.00000

AG

Infos

# 95

1523.60120

8.81570

B1U

Infos

# 96

1524.35750

0.00000

AG

Infos

# 97

1555.39880

1.75530

B2U

Infos

# 98

1597.25400

0.00000

B3G

Infos

# 99

1599.41340

0.00000

AG

Infos

# 100

1615.61160

0.00000

B3G

Infos

# 101

1616.34460

0.15880

B2U

Infos

# 102

1618.43450

0.15140

B1U

Infos

# 103

1648.18810

16.04250

B2U

Infos

# 104

1653.92700

0.00000

AG

Infos

# 105

1660.22510

0.00000

B3G

Infos

# 106

1663.37870

34.03620

B1U

Infos

# 107

3184.27600

8.03270

B1U

Infos

# 108

3184.67310

0.00000

AG

Infos

# 109

3185.96060

0.00000

B3G

Infos

# 110

3186.81740

3.77690

B2U

Infos

# 111

3188.53950

0.03590

B1U

Infos

# 112

3189.15270

0.00000

AG

Infos

# 113

3201.63300

0.00000

B3G

Infos

# 114

3202.29880

81.61210

B1U

Infos

# 115

3204.77890

29.14640

B2U

Infos

# 116

3205.71300

0.00000

AG

Infos

# 117

3214.99680

0.00000

B3G

Infos

# 118

3215.22830

10.69430

B1U

Infos

# 119

3230.52280

38.56260

B2U

Infos

# 120

3230.61040

0.00000

AG

Infos