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Dip+ (C32H16+)
Electronic States :

Energy
(eV)

-1229.15560

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01727
b
0.00224
c
0.00198

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

28.22090

0.48710

B3U

Infos

# 2

57.68410

0.00000

AU

Infos

# 3

69.74010

0.00000

B2G

Infos

# 4

93.74830

2.21060

B2U

Infos

# 5

127.02440

0.00000

B1G

Infos

# 6

136.49430

4.36920

B3U

Infos

# 7

143.09330

0.00000

AU

Infos

# 8

166.13780

0.00000

B2G

Infos

# 9

176.05920

7.56680

B3U

Infos

# 10

180.74230

0.00000

B3G

Infos

# 11

221.74740

0.00000

AG

Infos

# 12

241.58320

0.00000

B2G

Infos

# 13

281.03400

0.12040

B2U

Infos

# 14

284.11890

0.00000

B1G

Infos

# 15

320.43040

0.12280

B3U

Infos

# 16

344.65430

0.00000

AU

Infos

# 17

380.69140

1.25520

B1U

Infos

# 18

380.85830

0.00000

B3G

Infos

# 19

384.21970

0.00000

B2G

Infos

# 20

437.19970

7.68970

B3U

Infos

# 21

449.23660

0.00000

B2G

Infos

# 22

450.24780

0.00000

B1G

Infos

# 23

456.10730

0.00000

AG

Infos

# 24

470.17310

0.38300

B3U

Infos

# 25

474.28530

0.00000

B3G

Infos

# 26

493.31200

0.00000

B2G

Infos

# 27

503.43460

0.00000

AU

Infos

# 28

504.01400

10.33640

B2U

Infos

# 29

540.34800

0.00000

AG

Infos

# 30

564.18190

3.02680

B1U

Infos

# 31

567.41440

0.00000

B1G

Infos

# 32

568.39240

0.57770

B2U

Infos

# 33

578.74260

0.00000

B3G

Infos

# 34

611.63560

0.00000

AU

Infos

# 35

620.54250

0.00000

B3G

Infos

# 36

632.68770

5.53400

B1U

Infos

# 37

642.52990

0.00000

AG

Infos

# 38

672.53000

0.27360

B3U

Infos

# 39

675.63300

0.00000

B1G

Infos

# 40

689.21470

0.19300

B2U

Infos

# 41

709.91580

0.00000

AU

Infos

# 42

712.10170

0.00000

AG

Infos

# 43

714.39610

0.04270

B1U

Infos

# 44

745.29610

0.00000

B2G

Infos

# 45

768.54670

156.08030

B3U

Infos

# 46

774.50290

0.00000

B3G

Infos

# 47

781.10100

0.00000

B2G

Infos

# 48

793.72760

0.00000

B1G

Infos

# 49

802.46820

0.00000

AU

Infos

# 50

813.04210

6.25210

B1U

Infos

# 51

843.85770

98.11470

B3U

Infos

# 52

851.86390

44.21920

B2U

Infos

# 53

854.84580

0.00000

AG

Infos

# 54

863.29140

0.00000

B1G

Infos

# 55

865.10570

0.00000

B2G

Infos

# 56

869.09600

0.00000

AU

Infos

# 57

872.29390

23.33960

B3U

Infos

# 58

915.56290

0.00000

AU

Infos

# 59

916.48920

0.00000

B1G

Infos

# 60

920.46590

0.69740

B1U

Infos

# 61

962.60850

0.00000

B2G

Infos

# 62

970.32430

3.77880

B3U

Infos

# 63

970.44210

0.00000

B2G

Infos

# 64

978.52500

0.00000

B3G

Infos

# 65

984.70420

0.00000

AU

Infos

# 66

988.67670

1.05850

B3U

Infos

# 67

991.77240

0.00000

B1G

Infos

# 68

1001.61650

0.00000

B2G

Infos

# 69

1005.37810

0.00000

AU

Infos

# 70

1005.38810

0.00000

B1G

Infos

# 71

1014.26820

90.09720

B2U

Infos

# 72

1022.73860

0.00000

AG

Infos

# 73

1037.60030

21.42280

B1U

Infos

# 74

1050.51650

0.00000

AG

Infos

# 75

1072.46170

0.00000

B3G

Infos

# 76

1090.34720

78.65180

B2U

Infos

# 77

1113.80950

0.00000

B3G

Infos

# 78

1119.84910

73.18320

B1U

Infos

# 79

1132.26300

0.00000

AG

Infos

# 80

1147.99920

128.87850

B2U

Infos

# 81

1158.33840

14.18380

B1U

Infos

# 82

1167.57200

0.00000

B3G

Infos

# 83

1175.59280

28.16460

B2U

Infos

# 84

1186.14480

40.24120

B1U

Infos

# 85

1186.56250

0.00000

AG

Infos

# 86

1206.43140

0.00000

B3G

Infos

# 87

1254.09740

0.00000

B3G

Infos

# 88

1255.72410

9.42140

B2U

Infos

# 89

1256.67760

0.00000

AG

Infos

# 90

1283.29880

94.32480

B1U

Infos

# 91

1298.36190

31.14110

B2U

Infos

# 92

1312.50640

0.00000

AG

Infos

# 93

1313.79810

0.00000

B3G

Infos

# 94

1338.94960

50.73010

B2U

Infos

# 95

1348.92340

0.00000

AG

Infos

# 96

1363.24700

310.74800

B1U

Infos

# 97

1378.69780

27.51150

B2U

Infos

# 98

1386.02000

202.17010

B1U

Infos

# 99

1391.16870

0.00000

AG

Infos

# 100

1405.47650

0.00000

B3G

Infos

# 101

1427.86200

10.53610

B1U

Infos

# 102

1445.00120

2.92330

B2U

Infos

# 103

1452.57030

0.00000

B3G

Infos

# 104

1454.28060

67.83160

B1U

Infos

# 105

1462.89160

0.00000

AG

Infos

# 106

1471.07300

24.94210

B2U

Infos

# 107

1473.20500

0.00000

AG

Infos

# 108

1478.06200

149.94290

B1U

Infos

# 109

1487.38280

0.00000

B3G

Infos

# 110

1495.36460

10.73670

B2U

Infos

# 111

1518.24600

0.00000

AG

Infos

# 112

1531.28790

0.00000

B3G

Infos

# 113

1596.47270

34.57730

B2U

Infos

# 114

1597.85140

181.36300

B1U

Infos

# 115

1605.53060

0.00000

AG

Infos

# 116

1606.03850

0.00000

B3G

Infos

# 117

1632.62890

0.03110

B2U

Infos

# 118

1633.30030

285.11990

B1U

Infos

# 119

1633.38510

0.00000

B3G

Infos

# 120

1635.76090

0.00000

AG

Infos

# 121

1664.39990

0.00000

AG

Infos

# 122

1671.63330

253.83440

B1U

Infos

# 123

3199.68540

0.00000

B3G

Infos

# 124

3199.70750

1.14640

B2U

Infos

# 125

3204.68300

0.64240

B1U

Infos

# 126

3205.02300

0.00000

AG

Infos

# 127

3207.00530

6.41640

B1U

Infos

# 128

3207.11580

0.00000

B3G

Infos

# 129

3211.19120

0.39020

B2U

Infos

# 130

3211.62620

0.00000

AG

Infos

# 131

3214.14820

0.00000

B3G

Infos

# 132

3214.23700

8.46510

B2U

Infos

# 133

3220.25780

0.00000

B3G

Infos

# 134

3220.50480

0.68920

B1U

Infos

# 135

3226.87330

37.38990

B1U

Infos

# 136

3226.88600

0.00000

AG

Infos

# 137

3229.53690

10.50930

B2U

Infos

# 138

3230.41230

0.00000

AG

Infos