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Terrylene- (C30H16-)
Electronic States :

Energy
(eV)

-1153.23036

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01377
b
0.00320
c
0.00260

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

27.51780

0.00000

AU

Infos

# 2

38.73130

0.04610

B3U

Infos

# 3

45.29850

0.00000

B1G

Infos

# 4

113.58990

0.00000

B2G

Infos

# 5

130.91480

0.05430

B3U

Infos

# 6

148.01160

0.40740

B2U

Infos

# 7

181.07730

0.00000

B2G

Infos

# 8

185.64620

7.50980

B3U

Infos

# 9

207.57620

0.00000

AU

Infos

# 10

213.83760

0.00000

B1G

Infos

# 11

245.60080

0.00000

AG

Infos

# 12

273.37710

0.00000

B3G

Infos

# 13

280.78470

2.99150

B3U

Infos

# 14

294.43470

0.00000

AU

Infos

# 15

354.16630

0.00000

B2G

Infos

# 16

391.14780

3.33220

B2U

Infos

# 17

392.20900

0.00000

B3G

Infos

# 18

417.05760

0.00000

B1G

Infos

# 19

428.07030

11.06740

B1U

Infos

# 20

443.37290

0.00000

AG

Infos

# 21

471.63800

3.69570

B1U

Infos

# 22

495.17930

0.70550

B3U

Infos

# 23

498.94920

0.00000

AU

Infos

# 24

499.01730

0.00000

B2G

Infos

# 25

511.13130

0.00000

B2G

Infos

# 26

524.74530

33.62700

B1U

Infos

# 27

531.29600

0.00240

B2U

Infos

# 28

538.83210

0.00000

AG

Infos

# 29

545.66700

0.00000

B3G

Infos

# 30

560.25630

0.00000

B1G

Infos

# 31

565.33070

0.00000

B3G

Infos

# 32

580.26180

0.00000

AG

Infos

# 33

587.17180

4.48400

B3U

Infos

# 34

629.16630

0.54770

B2U

Infos

# 35

637.52250

0.00000

AU

Infos

# 36

648.85750

0.00000

B2G

Infos

# 37

648.91090

0.00000

B1G

Infos

# 38

675.73010

1.66510

B1U

Infos

# 39

689.62870

0.00000

AU

Infos

# 40

723.30200

9.79110

B3U

Infos

# 41

729.73340

0.00000

B3G

Infos

# 42

743.01100

0.00000

B1G

Infos

# 43

750.26890

133.45780

B3U

Infos

# 44

753.16630

0.00000

AU

Infos

# 45

756.65030

0.00000

B2G

Infos

# 46

789.76760

0.41330

B1U

Infos

# 47

798.47170

0.00000

AG

Infos

# 48

804.33190

45.94960

B1U

Infos

# 49

808.14010

0.00000

B1G

Infos

# 50

813.03600

177.20580

B3U

Infos

# 51

822.98710

0.00000

AG

Infos

# 52

827.16970

0.00000

B2G

Infos

# 53

830.11410

0.00000

AU

Infos

# 54

830.97820

0.00000

B1G

Infos

# 55

835.11600

0.00060

B2U

Infos

# 56

863.69390

16.25090

B3U

Infos

# 57

864.01180

0.00000

B2G

Infos

# 58

932.71820

0.00000

B2G

Infos

# 59

933.11090

0.00000

AU

Infos

# 60

935.62150

49.80310

B1U

Infos

# 61

946.18090

0.00000

B1G

Infos

# 62

948.28860

0.00000

AU

Infos

# 63

951.02680

2.36150

B3U

Infos

# 64

953.39810

0.00000

B2G

Infos

# 65

954.08450

0.00000

B3G

Infos

# 66

1001.85950

3.04110

B3U

Infos

# 67

1029.97980

35.65740

B2U

Infos

# 68

1055.13590

0.00000

AG

Infos

# 69

1055.76650

0.00000

B2G

Infos

# 70

1066.98560

0.00000

B3G

Infos

# 71

1089.83020

13.45020

B2U

Infos

# 72

1112.52440

34.34700

B1U

Infos

# 73

1112.87800

0.00000

AG

Infos

# 74

1135.83430

0.00000

B3G

Infos

# 75

1153.66490

0.10630

B2U

Infos

# 76

1168.28180

0.00000

AG

Infos

# 77

1169.31660

35.81540

B1U

Infos

# 78

1179.24110

0.00000

B3G

Infos

# 79

1196.16220

0.00000

B3G

Infos

# 80

1200.46160

0.19560

B2U

Infos

# 81

1222.04530

7.25090

B1U

Infos

# 82

1231.66090

0.18070

B2U

Infos

# 83

1235.01880

0.00000

AG

Infos

# 84

1239.14200

0.04520

B2U

Infos

# 85

1240.51200

0.00000

B3G

Infos

# 86

1304.13460

0.00000

AG

Infos

# 87

1307.54530

294.65680

B1U

Infos

# 88

1310.54650

112.73730

B2U

Infos

# 89

1324.60250

0.00000

AG

Infos

# 90

1340.40540

0.00000

B3G

Infos

# 91

1363.19240

76.64780

B2U

Infos

# 92

1370.07400

0.00000

AG

Infos

# 93

1376.63300

106.08040

B1U

Infos

# 94

1381.84560

0.00000

B3G

Infos

# 95

1390.44340

0.02700

B2U

Infos

# 96

1393.13460

208.96370

B1U

Infos

# 97

1399.09730

0.00000

AG

Infos

# 98

1418.61560

0.32310

B1U

Infos

# 99

1444.38780

0.00000

AG

Infos

# 100

1466.31360

0.00000

B3G

Infos

# 101

1467.13510

0.00000

B3G

Infos

# 102

1469.97040

0.00000

AG

Infos

# 103

1472.08920

18.24810

B2U

Infos

# 104

1487.51540

1.30500

B1U

Infos

# 105

1525.06950

15.88200

B2U

Infos

# 106

1534.30880

0.00000

B3G

Infos

# 107

1569.02610

92.33210

B1U

Infos

# 108

1586.27320

0.69980

B2U

Infos

# 109

1594.00780

0.00000

AG

Infos

# 110

1596.58250

208.66860

B1U

Infos

# 111

1598.21120

0.00000

B3G

Infos

# 112

1611.12450

0.00000

AG

Infos

# 113

1613.53050

311.87220

B1U

Infos

# 114

1621.88470

134.65650

B2U

Infos

# 115

1623.98710

0.00000

B3G

Infos

# 116

1638.58280

0.00000

AG

Infos

# 117

3157.82660

0.00000

B3G

Infos

# 118

3157.86840

60.47850

B2U

Infos

# 119

3159.28240

44.41340

B1U

Infos

# 120

3159.57230

0.00000

AG

Infos

# 121

3179.53690

0.00000

B3G

Infos

# 122

3179.74300

36.95630

B2U

Infos

# 123

3183.39310

234.99260

B1U

Infos

# 124

3184.05190

0.00000

AG

Infos

# 125

3194.01520

8.28010

B1U

Infos

# 126

3194.03970

0.00000

B3G

Infos

# 127

3207.50860

2.80340

B2U

Infos

# 128

3207.88290

0.00000

AG

Infos

# 129

3221.31060

0.00000

B3G

Infos

# 130

3222.21280

3.74760

B1U

Infos

# 131

3228.20040

103.32950

B2U

Infos

# 132

3229.51240

0.00000

AG

Infos