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Dip (C32H16)
Electronic States :

Energy
(eV)

-1229.39152

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01734
b
0.00223
c
0.00197

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

29.24780

0.32090

B3U

Infos

# 2

53.15510

0.00000

AU

Infos

# 3

71.82380

0.00000

B2G

Infos

# 4

101.88240

0.05820

B2U

Infos

# 5

128.80220

0.00000

B1G

Infos

# 6

138.45480

3.52380

B3U

Infos

# 7

142.95000

0.00000

AU

Infos

# 8

159.24220

0.00000

B2G

Infos

# 9

180.96580

5.30230

B3U

Infos

# 10

181.64640

0.00000

B3G

Infos

# 11

220.90660

0.00000

AG

Infos

# 12

250.73360

0.00000

B2G

Infos

# 13

282.47340

0.17800

B2U

Infos

# 14

293.13600

0.00000

B1G

Infos

# 15

327.26590

0.07080

B3U

Infos

# 16

349.59430

0.00000

AU

Infos

# 17

381.69210

0.85740

B1U

Infos

# 18

383.06550

0.00000

B3G

Infos

# 19

393.77630

0.00000

B2G

Infos

# 20

452.96350

7.37050

B3U

Infos

# 21

456.98190

0.00000

B1G

Infos

# 22

458.24660

0.00000

AG

Infos

# 23

462.54480

0.00000

B2G

Infos

# 24

476.52220

0.52630

B3U

Infos

# 25

484.08160

0.00000

B3G

Infos

# 26

491.31140

0.00000

B2G

Infos

# 27

520.10440

0.30380

B2U

Infos

# 28

520.20300

0.00000

AU

Infos

# 29

541.12860

0.00000

AG

Infos

# 30

569.69560

10.20490

B1U

Infos

# 31

573.05930

0.00050

B2U

Infos

# 32

582.05690

0.00000

B3G

Infos

# 33

584.29770

0.00000

B1G

Infos

# 34

617.40440

0.00000

AU

Infos

# 35

623.50980

0.00000

B3G

Infos

# 36

636.79590

0.39550

B1U

Infos

# 37

643.96540

0.00000

AG

Infos

# 38

672.67800

0.00000

B1G

Infos

# 39

689.31430

3.69790

B3U

Infos

# 40

692.82580

0.68870

B2U

Infos

# 41

707.70820

0.00000

AU

Infos

# 42

713.74720

0.00000

AG

Infos

# 43

718.55190

1.07430

B1U

Infos

# 44

749.10560

0.00000

B2G

Infos

# 45

763.40480

158.85400

B3U

Infos

# 46

779.46140

0.00000

B3G

Infos

# 47

784.28860

0.00000

B2G

Infos

# 48

798.85630

0.00000

B1G

Infos

# 49

806.41090

0.00000

AU

Infos

# 50

813.94430

7.42050

B1U

Infos

# 51

848.45770

122.35660

B3U

Infos

# 52

853.10170

0.00000

AG

Infos

# 53

857.57020

0.00000

B1G

Infos

# 54

861.00260

0.00000

AU

Infos

# 55

865.71690

0.00000

B2G

Infos

# 56

870.73310

2.25010

B2U

Infos

# 57

884.55140

9.76460

B3U

Infos

# 58

899.83910

0.00000

AU

Infos

# 59

901.25510

0.00000

B1G

Infos

# 60

919.00820

4.97580

B1U

Infos

# 61

953.53070

0.00000

B2G

Infos

# 62

954.16920

4.95930

B3U

Infos

# 63

954.88520

0.00000

B2G

Infos

# 64

963.18870

0.00000

AU

Infos

# 65

968.25640

0.11200

B3U

Infos

# 66

969.43560

0.00000

B1G

Infos

# 67

981.09930

0.00000

B3G

Infos

# 68

985.66300

0.00000

AU

Infos

# 69

985.66820

0.00000

B1G

Infos

# 70

1023.64370

0.00000

AG

Infos

# 71

1036.07910

2.10120

B2U

Infos

# 72

1039.53110

12.65960

B1U

Infos

# 73

1041.75570

0.00000

B2G

Infos

# 74

1045.93230

0.00000

AG

Infos

# 75

1066.75620

0.00000

B3G

Infos

# 76

1110.75580

0.95710

B2U

Infos

# 77

1110.97250

0.00000

B3G

Infos

# 78

1115.34470

71.85690

B1U

Infos

# 79

1124.82850

0.00000

AG

Infos

# 80

1152.65910

33.22850

B1U

Infos

# 81

1173.14270

12.89260

B2U

Infos

# 82

1173.72530

0.00000

B3G

Infos

# 83

1176.79450

0.00000

AG

Infos

# 84

1178.48310

0.84710

B1U

Infos

# 85

1192.13330

5.69410

B2U

Infos

# 86

1214.39600

0.00000

B3G

Infos

# 87

1247.88190

0.00000

B3G

Infos

# 88

1251.25740

0.00200

B2U

Infos

# 89

1257.26400

0.00000

AG

Infos

# 90

1289.54270

30.26570

B1U

Infos

# 91

1311.38280

3.15210

B2U

Infos

# 92

1314.08430

0.00000

B3G

Infos

# 93

1317.79930

0.00000

AG

Infos

# 94

1331.60540

15.38780

B2U

Infos

# 95

1348.69090

0.00000

AG

Infos

# 96

1355.16660

14.40190

B1U

Infos

# 97

1370.54700

3.20450

B2U

Infos

# 98

1372.88780

0.00000

AG

Infos

# 99

1396.17850

0.00000

B3G

Infos

# 100

1402.04110

50.57380

B1U

Infos

# 101

1415.87480

1.12430

B1U

Infos

# 102

1443.67260

0.00000

AG

Infos

# 103

1461.76220

19.40650

B1U

Infos

# 104

1469.36810

0.00000

AG

Infos

# 105

1470.96220

0.00000

B3G

Infos

# 106

1473.26970

19.41750

B2U

Infos

# 107

1480.75340

463.63690

B1U

Infos

# 108

1500.13340

0.00000

AG

Infos

# 109

1501.10050

0.00000

B3G

Infos

# 110

1508.94950

1.23360

B2U

Infos

# 111

1522.62470

15.54740

B2U

Infos

# 112

1531.79450

0.00000

B3G

Infos

# 113

1619.55550

7.20590

B1U

Infos

# 114

1620.43560

0.00000

AG

Infos

# 115

1637.94570

12.24960

B1U

Infos

# 116

1640.45320

0.00000

AG

Infos

# 117

1642.30210

1.95490

B2U

Infos

# 118

1653.34510

0.00000

AG

Infos

# 119

1655.33640

0.00000

B3G

Infos

# 120

1655.40660

1.48590

B2U

Infos

# 121

1656.66740

0.00000

B3G

Infos

# 122

1675.57200

1.94690

B1U

Infos

# 123

3182.37380

0.00000

B3G

Infos

# 124

3182.44370

1.75200

B2U

Infos

# 125

3188.17570

41.73190

B1U

Infos

# 126

3189.28030

0.00000

B3G

Infos

# 127

3189.77560

0.00000

AG

Infos

# 128

3191.05550

7.01490

B1U

Infos

# 129

3192.48170

5.70890

B2U

Infos

# 130

3193.36530

0.00000

AG

Infos

# 131

3199.05460

0.00000

B3G

Infos

# 132

3199.16540

35.59010

B2U

Infos

# 133

3205.35850

0.00000

B3G

Infos

# 134

3205.57770

0.01330

B1U

Infos

# 135

3212.11820

89.96040

B1U

Infos

# 136

3212.13120

0.00000

AG

Infos

# 137

3215.68330

39.42080

B2U

Infos

# 138

3216.58970

0.00000

AG

Infos