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Dibenzo[a,j]anthracene (C22H14)
Electronic States :

Energy
(eV)

-847.01170

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02204
b
0.00565
c
0.00450

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

45.63650

0.00000

A2

Infos

# 2

56.35860

0.51920

B1

Infos

# 3

110.64970

0.00000

A2

Infos

# 4

115.37460

0.15320

A1

Infos

# 5

132.63770

1.95160

B1

Infos

# 6

190.24160

0.26770

B1

Infos

# 7

219.78920

0.00000

A2

Infos

# 8

250.34880

0.11200

B2

Infos

# 9

289.58740

3.64920

B1

Infos

# 10

304.70670

0.60890

A1

Infos

# 11

315.56370

0.00000

A2

Infos

# 12

405.59380

0.14340

A1

Infos

# 13

417.62710

0.00000

A2

Infos

# 14

417.85320

0.01940

B1

Infos

# 15

430.04700

4.53750

B2

Infos

# 16

446.19720

17.13330

B1

Infos

# 17

498.83270

2.63240

B2

Infos

# 18

527.15490

0.48300

A1

Infos

# 19

528.37530

2.01000

B1

Infos

# 20

529.22500

0.03060

B2

Infos

# 21

532.66470

0.00000

A2

Infos

# 22

574.43000

0.00000

A2

Infos

# 23

576.04430

4.74140

B1

Infos

# 24

577.23320

0.00330

A1

Infos

# 25

601.61300

11.51790

B2

Infos

# 26

657.74890

2.76010

A1

Infos

# 27

688.24760

0.00000

A2

Infos

# 28

729.40720

0.44970

A1

Infos

# 29

738.29730

0.68940

B2

Infos

# 30

739.05320

7.77980

B1

Infos

# 31

758.35030

98.00570

B1

Infos

# 32

760.86340

0.00000

A2

Infos

# 33

775.38510

2.90410

B2

Infos

# 34

788.26800

0.09120

A1

Infos

# 35

801.15120

0.27830

B1

Infos

# 36

815.43530

0.00000

A2

Infos

# 37

827.53250

60.46530

B1

Infos

# 38

841.98850

0.00000

A2

Infos

# 39

874.51400

1.04530

A1

Infos

# 40

884.89660

0.50170

B1

Infos

# 41

886.77470

0.00000

A2

Infos

# 42

893.22250

4.28330

B2

Infos

# 43

905.90120

38.66600

B1

Infos

# 44

932.12430

25.02810

B1

Infos

# 45

959.09940

0.00000

A2

Infos

# 46

961.64810

11.77410

B1

Infos

# 47

982.62380

1.54060

B2

Infos

# 48

984.43510

0.00000

A2

Infos

# 49

987.44660

0.45780

B1

Infos

# 50

992.46340

0.00000

A2

Infos

# 51

994.08040

0.01160

B1

Infos

# 52

1016.99980

0.81660

A1

Infos

# 53

1058.27350

6.26380

B2

Infos

# 54

1065.69410

7.33870

A1

Infos

# 55

1125.15900

4.22420

B2

Infos

# 56

1133.06860

2.74450

A1

Infos

# 57

1167.15470

0.96380

B2

Infos

# 58

1175.87440

1.67530

A1

Infos

# 59

1183.34360

0.47290

B2

Infos

# 60

1186.82460

0.00420

A1

Infos

# 61

1199.16020

6.28510

B2

Infos

# 62

1230.57230

0.00040

B2

Infos

# 63

1242.47640

4.16480

A1

Infos

# 64

1251.79290

12.31900

A1

Infos

# 65

1266.71740

0.62370

B2

Infos

# 66

1297.45740

1.10110

B2

Infos

# 67

1299.06620

0.06460

A1

Infos

# 68

1307.49210

4.92390

B2

Infos

# 69

1332.87410

0.11340

A1

Infos

# 70

1377.16950

0.87040

A1

Infos

# 71

1387.48600

2.70200

B2

Infos

# 72

1401.42270

0.38940

B2

Infos

# 73

1423.15520

0.40600

A1

Infos

# 74

1441.67090

0.02560

B2

Infos

# 75

1460.47190

4.94730

A1

Infos

# 76

1465.97310

7.50480

B2

Infos

# 77

1475.87730

0.04900

A1

Infos

# 78

1486.48050

15.26100

B2

Infos

# 79

1511.92930

0.74610

A1

Infos

# 80

1529.90040

13.55550

B2

Infos

# 81

1555.46720

10.42370

A1

Infos

# 82

1597.77230

3.49290

B2

Infos

# 83

1612.00930

0.13670

A1

Infos

# 84

1643.58540

0.31950

B2

Infos

# 85

1658.20350

0.56120

A1

Infos

# 86

1661.97410

0.06900

B2

Infos

# 87

1673.21910

0.07810

B2

Infos

# 88

1676.05460

1.22990

A1

Infos

# 89

3177.99950

1.19790

A1

Infos

# 90

3179.51460

1.14460

B2

Infos

# 91

3181.19610

5.48520

A1

Infos

# 92

3182.03330

2.74980

B2

Infos

# 93

3182.68110

1.80450

A1

Infos

# 94

3191.95920

6.07110

A1

Infos

# 95

3192.26200

2.79520

B2

Infos

# 96

3199.69420

14.36860

B2

Infos

# 97

3200.37120

39.61970

A1

Infos

# 98

3206.24190

0.01380

A1

Infos

# 99

3207.35210

54.26050

B2

Infos

# 100

3215.64740

19.07110

A1

Infos

# 101

3218.54630

1.39740

B2

Infos

# 102

3243.85690

8.90860

A1

Infos