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Dibenzo[e,l]pyrene+ (C24H14+)
Electronic States :

Energy
(eV)

-923.00923

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01577
b
0.00676
c
0.00473

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

28.08050

0.00630

B3U

Infos

# 2

66.92920

0.00000

AU

Infos

# 3

86.57400

0.00000

B2G

Infos

# 4

112.75930

0.00000

B1G

Infos

# 5

122.39840

7.06890

B3U

Infos

# 6

174.74170

0.00000

AU

Infos

# 7

210.60170

7.27360

B1U

Infos

# 8

242.22730

0.00000

B1G

Infos

# 9

288.02420

0.17980

B3U

Infos

# 10

292.64910

0.00000

B3G

Infos

# 11

313.19130

0.00000

B2G

Infos

# 12

314.11680

0.00000

AG

Infos

# 13

363.53910

1.16660

B2U

Infos

# 14

372.21430

0.00000

B3G

Infos

# 15

420.60040

0.20580

B3U

Infos

# 16

432.80450

0.00000

B1G

Infos

# 17

451.64160

0.00000

AG

Infos

# 18

456.23210

0.00000

AU

Infos

# 19

474.24530

4.07620

B2U

Infos

# 20

488.56470

3.55580

B1U

Infos

# 21

507.92850

10.05030

B3U

Infos

# 22

520.75680

0.00000

B2G

Infos

# 23

535.84330

0.00000

B2G

Infos

# 24

607.15920

2.43650

B1U

Infos

# 25

608.14780

0.00000

B3G

Infos

# 26

618.60100

0.00000

B1G

Infos

# 27

619.31150

29.32380

B2U

Infos

# 28

626.01540

0.00000

AU

Infos

# 29

626.34460

0.00000

B3G

Infos

# 30

656.61020

0.00000

AG

Infos

# 31

699.39990

8.89900

B3U

Infos

# 32

734.24480

63.22390

B1U

Infos

# 33

759.07980

0.00000

B2G

Infos

# 34

771.54290

211.30620

B3U

Infos

# 35

774.98910

0.00000

B2G

Infos

# 36

780.09930

0.00000

B1G

Infos

# 37

782.99530

0.00000

AG

Infos

# 38

793.54650

79.26500

B2U

Infos

# 39

815.24760

0.00000

AU

Infos

# 40

838.56270

15.94880

B3U

Infos

# 41

857.46470

0.00000

B3G

Infos

# 42

864.71080

0.00000

B2G

Infos

# 43

912.37950

0.00000

AU

Infos

# 44

929.62650

0.00000

B1G

Infos

# 45

960.27810

0.00000

AU

Infos

# 46

977.32970

1.16400

B3U

Infos

# 47

980.32810

0.00000

B1G

Infos

# 48

996.07360

88.16870

B1U

Infos

# 49

997.79400

0.00000

B2G

Infos

# 50

1003.38390

0.06820

B3U

Infos

# 51

1007.11730

0.29570

B1U

Infos

# 52

1008.82200

0.00000

AG

Infos

# 53

1014.03950

0.00000

AU

Infos

# 54

1014.42340

0.00000

B2G

Infos

# 55

1022.06530

0.00000

B2G

Infos

# 56

1061.23020

10.07740

B2U

Infos

# 57

1067.43820

0.00000

AG

Infos

# 58

1088.15420

0.00000

B3G

Infos

# 59

1107.51840

34.44500

B2U

Infos

# 60

1132.08010

0.00000

AG

Infos

# 61

1139.71920

2.37280

B1U

Infos

# 62

1164.30710

9.37170

B1U

Infos

# 63

1174.08730

0.00000

B3G

Infos

# 64

1196.80560

26.73140

B2U

Infos

# 65

1210.93430

0.00000

AG

Infos

# 66

1217.82630

0.00000

B3G

Infos

# 67

1232.13920

11.66070

B2U

Infos

# 68

1272.90970

167.61400

B1U

Infos

# 69

1285.50330

0.00000

AG

Infos

# 70

1292.07310

0.25700

B2U

Infos

# 71

1293.66940

0.00000

B3G

Infos

# 72

1319.84370

0.00000

B3G

Infos

# 73

1353.20940

0.00000

AG

Infos

# 74

1371.29200

164.74680

B1U

Infos

# 75

1381.61400

500.07900

B2U

Infos

# 76

1383.53750

0.00000

B3G

Infos

# 77

1396.11890

6.90580

B2U

Infos

# 78

1405.41940

0.00000

AG

Infos

# 79

1416.32830

57.13730

B1U

Infos

# 80

1463.47300

0.00000

AG

Infos

# 81

1468.47720

122.30500

B2U

Infos

# 82

1474.20470

0.00000

B3G

Infos

# 83

1494.08280

106.14280

B2U

Infos

# 84

1514.90220

0.00000

B3G

Infos

# 85

1518.00560

0.00000

AG

Infos

# 86

1531.28000

9.18170

B1U

Infos

# 87

1533.89870

0.00000

B3G

Infos

# 88

1560.89870

58.85530

B2U

Infos

# 89

1583.25880

92.37970

B1U

Infos

# 90

1591.21120

0.00000

AG

Infos

# 91

1594.35190

231.09500

B2U

Infos

# 92

1636.71480

0.00000

AG

Infos

# 93

1645.15460

0.00000

B3G

Infos

# 94

1645.71150

3.56510

B1U

Infos

# 95

3209.98490

1.16990

B1U

Infos

# 96

3210.12160

0.00000

B3G

Infos

# 97

3219.92170

0.00000

AG

Infos

# 98

3220.21060

2.29640

B1U

Infos

# 99

3222.85120

2.12240

B2U

Infos

# 100

3223.76680

0.00000

AG

Infos

# 101

3236.77320

0.00000

B3G

Infos

# 102

3238.80080

0.22200

B1U

Infos

# 103

3239.12830

4.47970

B2U

Infos

# 104

3241.20120

0.00000

AG

Infos

# 105

3259.12550

0.00000

B3G

Infos

# 106

3260.45730

9.22980

B1U

Infos

# 107

3260.58730

12.15110

B2U

Infos

# 108

3261.82290

0.00000

AG

Infos