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

Energy
(eV)

-922.60559

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01580
b
0.00671
c
0.00471

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

23.18410

0.07880

B1

Infos

# 2

62.91560

0.00000

A2

Infos

# 3

80.98840

0.00000

A2

Infos

# 4

105.32730

0.22410

B1

Infos

# 5

123.33470

10.14470

B1

Infos

# 6

159.46760

0.00000

A2

Infos

# 7

189.68040

11.61260

B2

Infos

# 8

228.29220

0.13950

B1

Infos

# 9

278.62690

0.53370

B1

Infos

# 10

290.98690

3.69750

B2

Infos

# 11

292.57960

64.96410

A1

Infos

# 12

302.32170

0.00000

A2

Infos

# 13

363.00330

0.06850

A1

Infos

# 14

363.95880

8.77160

B2

Infos

# 15

388.11360

1.06490

B1

Infos

# 16

413.09530

0.09600

B1

Infos

# 17

431.80690

0.00000

A2

Infos

# 18

438.84650

59.22610

A1

Infos

# 19

464.90830

15.27170

B2

Infos

# 20

471.50910

0.88510

A1

Infos

# 21

475.89680

0.00000

A2

Infos

# 22

478.68680

7.39800

B1

Infos

# 23

500.59360

0.00000

A2

Infos

# 24

591.16590

89.72330

A1

Infos

# 25

592.35010

0.01870

B2

Infos

# 26

600.62420

0.00000

A2

Infos

# 27

601.81200

0.76350

B2

Infos

# 28

602.29510

0.10220

B1

Infos

# 29

624.53780

6.36530

B2

Infos

# 30

643.21330

61.23040

A1

Infos

# 31

701.20730

2.74220

B1

Infos

# 32

702.54580

96.79010

B2

Infos

# 33

724.03680

0.00000

A2

Infos

# 34

761.02850

156.74160

A1

Infos

# 35

767.15700

130.47620

B1

Infos

# 36

770.28760

0.00000

A2

Infos

# 37

779.52720

65.46200

B1

Infos

# 38

789.94500

74.10440

A1

Infos

# 39

799.59200

0.00000

A2

Infos

# 40

836.64970

23.09490

B1

Infos

# 41

856.02600

2.78840

B2

Infos

# 42

859.49940

0.00000

A2

Infos

# 43

902.12720

0.00000

A2

Infos

# 44

931.32500

0.00000

A2

Infos

# 45

938.56400

0.07060

B1

Infos

# 46

950.81580

0.00000

A2

Infos

# 47

963.24000

134.54650

B2

Infos

# 48

981.51120

0.05990

B1

Infos

# 49

985.77530

118.72210

A1

Infos

# 50

987.30820

0.67740

B1

Infos

# 51

1002.43480

1.32650

B2

Infos

# 52

1014.85850

0.00000

A2

Infos

# 53

1017.00540

0.05210

B1

Infos

# 54

1023.20760

0.00000

A2

Infos

# 55

1024.55710

0.00000

A2

Infos

# 56

1052.56020

76.30430

A1

Infos

# 57

1078.65520

58.58800

A1

Infos

# 58

1083.32370

3.92410

B2

Infos

# 59

1100.13530

18.52890

A1

Infos

# 60

1126.04570

0.02090

B2

Infos

# 61

1127.30440

0.43440

A1

Infos

# 62

1134.41690

1.13740

B2

Infos

# 63

1177.70060

405.87480

A1

Infos

# 64

1177.87540

54.17520

B2

Infos

# 65

1187.46030

174.02900

B2

Infos

# 66

1213.95160

39.01890

A1

Infos

# 67

1231.31970

12.01480

A1

Infos

# 68

1249.82260

2.22980

B2

Infos

# 69

1275.29650

817.79330

A1

Infos

# 70

1293.00510

0.72290

B2

Infos

# 71

1302.58220

18.44580

A1

Infos

# 72

1327.96160

71.16690

B2

Infos

# 73

1346.88900

0.47440

A1

Infos

# 74

1357.88810

35.11340

B2

Infos

# 75

1375.03850

0.01080

B2

Infos

# 76

1380.22540

544.82200

A1

Infos

# 77

1384.44520

3.26020

A1

Infos

# 78

1402.79950

0.33450

A1

Infos

# 79

1414.45610

31.07370

B2

Infos

# 80

1419.26890

89.28320

A1

Infos

# 81

1457.74130

6.07430

B2

Infos

# 82

1465.58010

91.42370

A1

Infos

# 83

1476.33980

14.45460

B2

Infos

# 84

1497.39350

0.67020

B2

Infos

# 85

1503.60840

4.49150

A1

Infos

# 86

1513.75670

13.51630

B2

Infos

# 87

1517.38650

35.77660

A1

Infos

# 88

1523.40630

69.45730

B2

Infos

# 89

1554.43860

120.85420

A1

Infos

# 90

1559.99110

0.60550

A1

Infos

# 91

1570.47680

455.20180

A1

Infos

# 92

1599.20720

11.54240

B2

Infos

# 93

1618.90350

26.99170

B2

Infos

# 94

1623.36750

103.70310

A1

Infos

# 95

3220.02670

0.02200

B2

Infos

# 96

3223.11710

0.54430

B2

Infos

# 97

3226.81830

1.85560

A1

Infos

# 98

3226.83740

5.55350

B2

Infos

# 99

3230.43720

5.50420

A1

Infos

# 100

3234.11770

7.98690

A1

Infos

# 101

3243.01730

0.14820

B2

Infos

# 102

3244.23450

0.60560

B2

Infos

# 103

3245.05370

0.01700

A1

Infos

# 104

3246.42470

0.88300

A1

Infos

# 105

3264.16080

0.02940

B2

Infos

# 106

3265.40000

0.07200

A1

Infos

# 107

3265.82150

3.83800

B2

Infos

# 108

3266.97520

0.57110

A1

Infos