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Dip- (C32H16-)
Electronic States :

Energy
(eV)

-1229.45517

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01720
b
0.00223
c
0.00198

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

28.88540

0.13880

B3U

Infos

# 2

56.76260

0.00000

AU

Infos

# 3

71.10620

0.00000

B2G

Infos

# 4

101.67600

0.33250

B2U

Infos

# 5

131.58240

0.00000

B1G

Infos

# 6

138.05500

2.83950

B3U

Infos

# 7

145.54100

0.00000

AU

Infos

# 8

167.64480

0.00000

B2G

Infos

# 9

181.19640

0.00000

B3G

Infos

# 10

187.59970

4.10170

B3U

Infos

# 11

221.51230

0.00000

AG

Infos

# 12

255.79250

0.00000

B2G

Infos

# 13

281.75850

0.28080

B2U

Infos

# 14

286.95130

0.00000

B1G

Infos

# 15

327.02090

0.03640

B3U

Infos

# 16

335.99100

0.00000

AU

Infos

# 17

381.67290

0.00170

B1U

Infos

# 18

384.15950

0.00000

B3G

Infos

# 19

393.23860

0.00000

B2G

Infos

# 20

431.35620

0.00000

B1G

Infos

# 21

454.00790

10.18830

B3U

Infos

# 22

456.33970

0.00000

AG

Infos

# 23

472.95350

0.00000

B2G

Infos

# 24

486.51620

0.00000

B3G

Infos

# 25

497.45490

0.96120

B3U

Infos

# 26

512.21490

0.00000

B2G

Infos

# 27

513.60890

0.00000

AU

Infos

# 28

519.48220

2.04080

B2U

Infos

# 29

538.99040

0.00000

AG

Infos

# 30

560.83920

75.32900

B1U

Infos

# 31

572.03690

0.04120

B2U

Infos

# 32

581.03480

0.00000

B3G

Infos

# 33

582.31760

0.00000

B1G

Infos

# 34

606.18080

0.00000

AU

Infos

# 35

619.30310

0.00000

B3G

Infos

# 36

630.30850

11.21680

B1U

Infos

# 37

640.04670

0.00000

AG

Infos

# 38

660.64520

0.00000

B1G

Infos

# 39

679.75260

0.38460

B3U

Infos

# 40

689.30310

0.57220

B2U

Infos

# 41

700.40030

0.00000

AU

Infos

# 42

714.09080

3.06980

B1U

Infos

# 43

715.65760

0.00000

AG

Infos

# 44

730.51210

0.00000

B2G

Infos

# 45

741.62850

181.10100

B3U

Infos

# 46

752.40080

0.00000

B2G

Infos

# 47

776.35900

0.00000

B3G

Infos

# 48

784.49730

0.00000

B1G

Infos

# 49

794.98140

0.00000

AU

Infos

# 50

808.79200

19.92520

B1U

Infos

# 51

812.30520

134.69340

B3U

Infos

# 52

818.33560

0.00000

AU

Infos

# 53

819.29800

0.00000

B1G

Infos

# 54

843.30160

0.00000

B2G

Infos

# 55

851.13860

0.00000

AG

Infos

# 56

864.56480

1.29760

B2U

Infos

# 57

870.85760

0.00000

AU

Infos

# 58

872.20700

0.00000

B1G

Infos

# 59

878.59420

0.58230

B3U

Infos

# 60

911.04010

2.79950

B1U

Infos

# 61

928.44950

0.00000

B2G

Infos

# 62

929.71520

7.27500

B3U

Infos

# 63

931.97550

0.00000

B2G

Infos

# 64

935.85340

0.00000

AU

Infos

# 65

941.98720

0.28560

B3U

Infos

# 66

942.77140

0.00000

B1G

Infos

# 67

951.90150

0.00000

AU

Infos

# 68

951.90760

0.00000

B1G

Infos

# 69

975.97580

0.00000

B3G

Infos

# 70

1017.31770

0.00000

AG

Infos

# 71

1025.67290

8.91780

B2U

Infos

# 72

1031.30520

53.96300

B1U

Infos

# 73

1035.49270

0.00000

AG

Infos

# 74

1048.01740

0.00000

B2G

Infos

# 75

1066.78500

0.00000

B3G

Infos

# 76

1102.06640

0.33380

B2U

Infos

# 77

1110.04010

496.35190

B1U

Infos

# 78

1116.48940

0.00000

B3G

Infos

# 79

1124.68240

0.00000

AG

Infos

# 80

1149.13480

13.77140

B1U

Infos

# 81

1156.25650

12.07410

B2U

Infos

# 82

1160.06890

0.00000

B3G

Infos

# 83

1167.17450

0.00000

AG

Infos

# 84

1169.02000

8.15250

B1U

Infos

# 85

1188.13910

4.44490

B2U

Infos

# 86

1193.14480

0.00000

B3G

Infos

# 87

1254.68800

0.00000

B3G

Infos

# 88

1257.33030

13.64600

B2U

Infos

# 89

1263.24940

0.00000

AG

Infos

# 90

1293.95690

351.63260

B1U

Infos

# 91

1301.95220

0.00000

AG

Infos

# 92

1318.61390

28.52030

B2U

Infos

# 93

1319.12850

0.00000

B3G

Infos

# 94

1337.39790

4.46880

B2U

Infos

# 95

1348.66130

0.00000

AG

Infos

# 96

1350.92390

38.39250

B1U

Infos

# 97

1374.52050

0.00000

AG

Infos

# 98

1376.81990

1.40760

B2U

Infos

# 99

1382.78740

416.68330

B1U

Infos

# 100

1397.05680

273.70830

B1U

Infos

# 101

1397.89720

0.00000

B3G

Infos

# 102

1450.18360

0.00000

AG

Infos

# 103

1453.10180

0.88990

B2U

Infos

# 104

1454.15920

922.98100

B1U

Infos

# 105

1462.01150

0.00000

B3G

Infos

# 106

1464.23420

0.00000

AG

Infos

# 107

1466.66250

222.83680

B1U

Infos

# 108

1485.99400

16.14820

B2U

Infos

# 109

1496.58440

0.00000

B3G

Infos

# 110

1504.04710

0.00000

AG

Infos

# 111

1511.73280

12.64790

B2U

Infos

# 112

1537.79900

0.00000

B3G

Infos

# 113

1574.14790

513.22390

B1U

Infos

# 114

1584.93230

0.00000

AG

Infos

# 115

1592.84780

24.24840

B2U

Infos

# 116

1605.81010

73.30910

B1U

Infos

# 117

1609.85290

0.00000

AG

Infos

# 118

1612.02170

0.00000

B3G

Infos

# 119

1635.11060

0.00000

B3G

Infos

# 120

1635.69350

0.00140

B2U

Infos

# 121

1641.81070

0.00000

AG

Infos

# 122

1658.77590

136.46430

B1U

Infos

# 123

3158.21560

0.00000

B3G

Infos

# 124

3158.25180

0.20500

B2U

Infos

# 125

3164.00500

24.80050

B1U

Infos

# 126

3164.89000

0.00000

B3G

Infos

# 127

3166.09640

0.00000

AG

Infos

# 128

3166.90580

36.07450

B2U

Infos

# 129

3169.06830

1.30240

B1U

Infos

# 130

3169.82830

0.00000

AG

Infos

# 131

3178.49860

0.00000

B3G

Infos

# 132

3178.56080

95.81350

B2U

Infos

# 133

3191.09950

0.00000

B3G

Infos

# 134

3191.10270

11.92100

B1U

Infos

# 135

3192.80620

0.00000

AG

Infos

# 136

3192.81680

216.16560

B1U

Infos

# 137

3204.73950

86.43260

B2U

Infos

# 138

3205.88520

0.00000

AG

Infos