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Dip++ (C32H16++)
Electronic States :

Energy
(eV)

-1228.79292

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01706
b
0.00226
c
0.00199

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

28.00350

1.42890

B3U

Infos

# 2

56.51550

0.00000

AU

Infos

# 3

68.26300

0.00000

B2G

Infos

# 4

103.05840

0.09580

B2U

Infos

# 5

121.48340

0.00000

B1G

Infos

# 6

133.12460

4.90540

B3U

Infos

# 7

137.13090

0.00000

AU

Infos

# 8

166.42400

0.00000

B2G

Infos

# 9

177.70990

0.00000

B3G

Infos

# 10

178.29550

9.20510

B3U

Infos

# 11

222.35580

0.00000

AG

Infos

# 12

242.49320

0.00000

B2G

Infos

# 13

277.60410

0.00000

B1G

Infos

# 14

282.65470

0.00080

B2U

Infos

# 15

303.53170

0.04250

B3U

Infos

# 16

336.48950

0.00000

AU

Infos

# 17

362.86450

0.00000

B2G

Infos

# 18

374.88390

0.00000

B3G

Infos

# 19

377.68630

97.78780

B1U

Infos

# 20

435.82750

0.00000

B1G

Infos

# 21

440.00530

5.52900

B3U

Infos

# 22

445.30180

0.00000

B2G

Infos

# 23

453.84140

0.00000

AG

Infos

# 24

467.84590

2.84740

B3U

Infos

# 25

469.43900

0.00000

B3G

Infos

# 26

479.45670

0.00000

AU

Infos

# 27

497.25360

0.00000

B2G

Infos

# 28

511.93430

0.00280

B2U

Infos

# 29

532.77500

0.00000

AG

Infos

# 30

537.30440

0.00000

B1G

Infos

# 31

557.57380

25.08540

B1U

Infos

# 32

569.18380

0.70160

B2U

Infos

# 33

577.60870

0.00000

B3G

Infos

# 34

589.52980

0.00000

AU

Infos

# 35

611.39200

0.00000

B3G

Infos

# 36

614.89540

265.70070

B1U

Infos

# 37

636.92600

0.00000

AG

Infos

# 38

660.25970

0.00200

B3U

Infos

# 39

666.65270

0.00000

B1G

Infos

# 40

683.89550

3.52390

B2U

Infos

# 41

704.52020

0.00000

AU

Infos

# 42

706.67000

134.87950

B1U

Infos

# 43

707.62870

0.00000

AG

Infos

# 44

739.55520

0.00000

B2G

Infos

# 45

765.09680

0.00000

B3G

Infos

# 46

775.25460

143.38390

B3U

Infos

# 47

784.68840

0.00000

B2G

Infos

# 48

787.10190

0.00000

B1G

Infos

# 49

796.21300

0.00000

AU

Infos

# 50

797.21300

257.29350

B1U

Infos

# 51

836.23290

81.37190

B3U

Infos

# 52

846.47580

0.00000

AG

Infos

# 53

861.87330

0.00000

B1G

Infos

# 54

864.55310

0.00000

B2G

Infos

# 55

865.30940

2.10990

B2U

Infos

# 56

869.50190

0.00000

AU

Infos

# 57

869.64910

43.14060

B3U

Infos

# 58

912.81990

128.44310

B1U

Infos

# 59

913.68860

0.00000

AU

Infos

# 60

914.31920

0.00000

B1G

Infos

# 61

937.95460

0.00000

B2G

Infos

# 62

974.51460

0.00000

B3G

Infos

# 63

987.82280

0.00000

B2G

Infos

# 64

987.88510

3.45730

B3U

Infos

# 65

993.16010

0.00000

AU

Infos

# 66

996.79280

0.00000

B2G

Infos

# 67

998.96230

1.29980

B3U

Infos

# 68

1000.68840

0.00000

B1G

Infos

# 69

1017.44690

0.00000

AG

Infos

# 70

1019.03250

0.00000

AU

Infos

# 71

1019.04930

0.00000

B1G

Infos

# 72

1028.50740

4.62170

B2U

Infos

# 73

1030.47830

118.25000

B1U

Infos

# 74

1040.19680

0.00000

AG

Infos

# 75

1072.59260

0.00000

B3G

Infos

# 76

1096.61420

0.00000

B3G

Infos

# 77

1099.47830

1398.59280

B1U

Infos

# 78

1114.14040

0.17960

B2U

Infos

# 79

1133.06970

0.00000

AG

Infos

# 80

1140.30880

0.00000

B3G

Infos

# 81

1156.64540

75.84450

B1U

Infos

# 82

1164.09320

1.01320

B2U

Infos

# 83

1181.42950

205.41510

B1U

Infos

# 84

1189.82800

0.00000

B3G

Infos

# 85

1194.73380

0.00000

AG

Infos

# 86

1209.01030

18.01740

B2U

Infos

# 87

1253.02780

0.00000

B3G

Infos

# 88

1261.67310

0.33540

B2U

Infos

# 89

1271.73900

0.00000

AG

Infos

# 90

1293.69300

430.48150

B1U

Infos

# 91

1309.06560

0.00000

AG

Infos

# 92

1312.59700

0.00000

B3G

Infos

# 93

1333.15630

0.27640

B2U

Infos

# 94

1351.50730

597.95290

B1U

Infos

# 95

1358.15280

0.00000

AG

Infos

# 96

1366.73090

65.55940

B2U

Infos

# 97

1368.96820

77.91050

B1U

Infos

# 98

1376.57110

19.40920

B2U

Infos

# 99

1378.15270

0.00000

B3G

Infos

# 100

1396.64400

0.00000

AG

Infos

# 101

1400.85920

465.13630

B1U

Infos

# 102

1430.10050

0.00000

B3G

Infos

# 103

1441.38670

229.86880

B1U

Infos

# 104

1463.75740

0.00000

AG

Infos

# 105

1464.36630

0.00000

AG

Infos

# 106

1467.57680

40.41890

B2U

Infos

# 107

1468.41910

173.55900

B1U

Infos

# 108

1494.12930

0.00000

B3G

Infos

# 109

1503.01910

36.19400

B2U

Infos

# 110

1503.56030

0.00000

B3G

Infos

# 111

1513.40540

26.02300

B2U

Infos

# 112

1519.38150

0.00000

AG

Infos

# 113

1557.81660

0.00000

B3G

Infos

# 114

1569.29660

942.11910

B1U

Infos

# 115

1582.33620

0.00000

AG

Infos

# 116

1584.21530

50.32590

B2U

Infos

# 117

1590.38190

4.83100

B1U

Infos

# 118

1598.11170

0.00000

B3G

Infos

# 119

1600.21900

0.00000

AG

Infos

# 120

1610.04680

51.24630

B2U

Infos

# 121

1655.32840

0.00000

AG

Infos

# 122

1677.45120

375.63870

B1U

Infos

# 123

3213.32740

0.00000

B3G

Infos

# 124

3213.40040

0.02610

B2U

Infos

# 125

3216.65800

5.96200

B1U

Infos

# 126

3217.83530

0.00000

B3G

Infos

# 127

3218.18930

0.00000

AG

Infos

# 128

3218.88450

13.07990

B1U

Infos

# 129

3221.67170

1.74430

B2U

Infos

# 130

3222.11340

0.00000

AG

Infos

# 131

3225.10420

0.00000

B3G

Infos

# 132

3225.31600

2.46240

B2U

Infos

# 133

3229.06580

0.00000

B3G

Infos

# 134

3229.28900

1.65210

B1U

Infos

# 135

3234.38510

0.00000

AG

Infos

# 136

3234.41450

0.01750

B1U

Infos

# 137

3238.87880

1.10780

B2U

Infos

# 138

3239.49520

0.00000

AG

Infos