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Terrylene (C30H16)
Electronic States :

Energy
(eV)

-1153.17825

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01387
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

22.78920

0.00000

AU

Infos

# 2

38.60690

0.30760

B3U

Infos

# 3

40.41530

0.00000

B1G

Infos

# 4

115.05090

0.00000

B2G

Infos

# 5

124.62350

0.17090

B3U

Infos

# 6

147.72580

0.09700

B2U

Infos

# 7

173.34130

0.00000

B2G

Infos

# 8

182.71070

8.86920

B3U

Infos

# 9

215.77870

0.00000

AU

Infos

# 10

224.66500

0.00000

B1G

Infos

# 11

245.40380

0.00000

AG

Infos

# 12

273.69220

0.00000

B3G

Infos

# 13

275.96670

2.86430

B3U

Infos

# 14

304.09760

0.00000

AU

Infos

# 15

360.99760

0.00000

B2G

Infos

# 16

387.15690

0.03210

B2U

Infos

# 17

393.25580

0.00000

B3G

Infos

# 18

430.31130

0.38490

B1U

Infos

# 19

438.74500

0.00000

B1G

Infos

# 20

444.52720

0.00000

AG

Infos

# 21

471.64240

0.00000

B2G

Infos

# 22

474.34750

0.05030

B3U

Infos

# 23

475.18910

4.00010

B1U

Infos

# 24

487.53430

0.00000

B2G

Infos

# 25

506.86030

0.00000

AU

Infos

# 26

527.23870

9.64580

B1U

Infos

# 27

532.67640

0.74160

B2U

Infos

# 28

544.33330

0.00000

AG

Infos

# 29

546.73690

0.00000

B3G

Infos

# 30

565.89240

0.00000

B3G

Infos

# 31

582.99590

0.00000

B1G

Infos

# 32

584.86090

8.40150

B3U

Infos

# 33

588.65910

0.00000

AG

Infos

# 34

632.79360

0.43910

B2U

Infos

# 35

645.68020

0.00000

B2G

Infos

# 36

647.99900

0.00000

AU

Infos

# 37

658.09180

0.00000

B1G

Infos

# 38

678.12310

0.00060

B1U

Infos

# 39

700.59340

0.00000

AU

Infos

# 40

733.76350

0.00000

B3G

Infos

# 41

744.65770

26.17860

B3U

Infos

# 42

775.43570

0.00000

B1G

Infos

# 43

781.69830

0.00000

AU

Infos

# 44

782.53660

66.25470

B3U

Infos

# 45

786.27000

0.00000

B2G

Infos

# 46

793.25380

25.60380

B1U

Infos

# 47

801.23800

0.00000

AG

Infos

# 48

808.86360

5.20060

B1U

Infos

# 49

832.17880

0.00000

AG

Infos

# 50

838.53310

0.00000

B2G

Infos

# 51

841.81620

4.35190

B2U

Infos

# 52

846.55970

190.70210

B3U

Infos

# 53

850.81110

0.00000

B1G

Infos

# 54

898.93920

0.00000

AU

Infos

# 55

900.04160

0.00000

B1G

Infos

# 56

915.99590

0.00000

B2G

Infos

# 57

919.93780

2.77910

B3U

Infos

# 58

939.22820

26.91190

B1U

Infos

# 59

960.01040

0.00000

B3G

Infos

# 60

961.42630

0.00000

B2G

Infos

# 61

963.60960

0.00000

AU

Infos

# 62

981.33240

0.00000

B1G

Infos

# 63

982.35970

0.00000

AU

Infos

# 64

987.26110

2.87080

B3U

Infos

# 65

989.88990

0.00000

B2G

Infos

# 66

992.49220

0.15800

B3U

Infos

# 67

1044.38290

5.85430

B2U

Infos

# 68

1044.96440

0.00000

B2G

Infos

# 69

1057.66790

0.00000

AG

Infos

# 70

1077.39440

0.00000

B3G

Infos

# 71

1087.69440

6.13700

B2U

Infos

# 72

1116.11780

0.00000

AG

Infos

# 73

1117.35700

7.03810

B1U

Infos

# 74

1153.36230

0.00000

B3G

Infos

# 75

1163.98650

3.93050

B2U

Infos

# 76

1176.51180

0.00000

AG

Infos

# 77

1178.87430

0.96050

B1U

Infos

# 78

1193.61650

0.00000

B3G

Infos

# 79

1212.70020

0.00000

B3G

Infos

# 80

1218.67170

0.00150

B2U

Infos

# 81

1232.07950

6.68410

B1U

Infos

# 82

1236.92800

15.21120

B2U

Infos

# 83

1237.70240

0.00000

AG

Infos

# 84

1247.01020

0.00000

B3G

Infos

# 85

1251.04150

3.46570

B2U

Infos

# 86

1308.34110

0.00000

AG

Infos

# 87

1325.88940

3.99070

B2U

Infos

# 88

1332.66940

0.00000

B3G

Infos

# 89

1333.80140

0.00030

B1U

Infos

# 90

1338.88950

3.20520

B2U

Infos

# 91

1342.41190

0.00000

AG

Infos

# 92

1384.32780

0.00000

B3G

Infos

# 93

1387.65510

1.95970

B2U

Infos

# 94

1394.28670

0.00000

AG

Infos

# 95

1399.43600

104.01050

B1U

Infos

# 96

1412.40510

0.00000

AG

Infos

# 97

1414.49900

0.86930

B1U

Infos

# 98

1430.00000

0.93470

B1U

Infos

# 99

1447.81810

0.00000

AG

Infos

# 100

1466.86330

0.00000

AG

Infos

# 101

1479.78800

4.36360

B1U

Infos

# 102

1483.73320

0.00000

B3G

Infos

# 103

1501.42180

0.12580

B2U

Infos

# 104

1511.67590

0.00000

B3G

Infos

# 105

1547.57340

0.00000

B3G

Infos

# 106

1547.94820

14.86040

B2U

Infos

# 107

1575.35920

0.03280

B2U

Infos

# 108

1600.24760

0.00000

AG

Infos

# 109

1613.70330

0.64880

B1U

Infos

# 110

1629.58520

70.01600

B1U

Infos

# 111

1633.40120

0.58890

B1U

Infos

# 112

1633.66300

0.00000

AG

Infos

# 113

1637.20150

0.00000

B3G

Infos

# 114

1646.32390

0.00000

AG

Infos

# 115

1663.25630

11.00760

B2U

Infos

# 116

1666.56950

0.00000

B3G

Infos

# 117

3185.07110

0.00000

B3G

Infos

# 118

3185.17170

5.23810

B2U

Infos

# 119

3187.04350

8.75740

B1U

Infos

# 120

3187.21540

0.00000

AG

Infos

# 121

3201.80220

0.00000

B3G

Infos

# 122

3202.62960

17.20370

B2U

Infos

# 123

3203.05940

119.54080

B1U

Infos

# 124

3204.53760

0.00000

AG

Infos

# 125

3210.36680

0.00000

B3G

Infos

# 126

3210.79710

3.81740

B1U

Infos

# 127

3218.64660

8.67150

B2U

Infos

# 128

3218.95410

0.00000

AG

Infos

# 129

3230.21540

0.00000

B3G

Infos

# 130

3230.81840

8.35120

B1U

Infos

# 131

3237.57670

45.98510

B2U

Infos

# 132

3238.63370

0.00000

AG

Infos