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Anthanthrene- (C22H12-)
Electronic States :

Energy
(eV)

-845.86356

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02090
b
0.00809
c
0.00583

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

68.74140

0.20120

AU

Infos

# 2

96.52780

0.51120

AU

Infos

# 3

168.50910

0.00000

BG

Infos

# 4

189.23710

5.90230

AU

Infos

# 5

193.32580

0.00000

BG

Infos

# 6

260.57200

9.25640

BU

Infos

# 7

274.69840

0.35050

AU

Infos

# 8

291.46310

0.00000

BG

Infos

# 9

325.86010

2.28890

AU

Infos

# 10

341.28790

0.00000

AG

Infos

# 11

383.79870

0.00000

AG

Infos

# 12

389.05150

0.00000

BG

Infos

# 13

449.76210

0.00000

AG

Infos

# 14

468.03460

4.47200

BU

Infos

# 15

479.83910

2.88260

AU

Infos

# 16

500.12800

0.97640

BU

Infos

# 17

517.87160

0.00000

BG

Infos

# 18

531.10760

0.00000

AG

Infos

# 19

537.68870

0.00000

BG

Infos

# 20

553.49150

0.00000

AG

Infos

# 21

557.84760

3.00220

AU

Infos

# 22

560.93100

20.50040

BU

Infos

# 23

587.59320

2.76510

AU

Infos

# 24

598.12470

1.00370

BU

Infos

# 25

652.72460

0.00000

BG

Infos

# 26

655.06210

0.00000

AG

Infos

# 27

707.60700

0.00000

BG

Infos

# 28

714.94360

0.02910

AU

Infos

# 29

725.79120

115.89300

AU

Infos

# 30

733.36100

0.00000

BG

Infos

# 31

751.79850

5.42090

BU

Infos

# 32

754.59310

0.00000

AG

Infos

# 33

763.79020

16.14680

BU

Infos

# 34

767.68740

0.88860

AU

Infos

# 35

786.43520

0.00000

BG

Infos

# 36

822.19090

0.00000

BG

Infos

# 37

822.77660

0.00000

AG

Infos

# 38

827.02510

17.24630

AU

Infos

# 39

830.25730

24.23040

AU

Infos

# 40

848.24790

0.00000

BG

Infos

# 41

883.44540

131.47320

AU

Infos

# 42

898.42770

24.80300

BU

Infos

# 43

926.88070

0.00000

BG

Infos

# 44

934.04940

0.84620

AU

Infos

# 45

937.84120

0.00000

BG

Infos

# 46

941.44290

0.58080

AU

Infos

# 47

942.79490

0.00000

BG

Infos

# 48

978.40500

1.21130

BU

Infos

# 49

1007.10170

0.00000

AG

Infos

# 50

1059.97390

0.00000

AG

Infos

# 51

1082.44360

23.69190

BU

Infos

# 52

1100.68880

4.58730

BU

Infos

# 53

1102.23550

0.00000

AG

Infos

# 54

1154.55530

23.41550

BU

Infos

# 55

1158.24110

0.00000

AG

Infos

# 56

1173.74340

15.20980

BU

Infos

# 57

1187.94100

0.00000

AG

Infos

# 58

1193.13730

0.00000

AG

Infos

# 59

1200.00350

24.79190

BU

Infos

# 60

1239.14870

0.00000

AG

Infos

# 61

1246.61020

19.73690

BU

Infos

# 62

1283.09310

0.00000

AG

Infos

# 63

1288.56820

114.27340

BU

Infos

# 64

1317.60690

0.00000

AG

Infos

# 65

1348.43630

99.75410

BU

Infos

# 66

1377.04090

150.05970

BU

Infos

# 67

1383.87750

0.00000

AG

Infos

# 68

1404.96320

86.19970

BU

Infos

# 69

1411.92620

0.00000

AG

Infos

# 70

1420.36930

6.50120

BU

Infos

# 71

1423.45870

0.00000

AG

Infos

# 72

1433.55070

0.00000

AG

Infos

# 73

1463.23070

34.93010

BU

Infos

# 74

1464.67650

0.00000

AG

Infos

# 75

1484.40320

0.00000

AG

Infos

# 76

1489.00100

13.10100

BU

Infos

# 77

1528.06580

2.27910

BU

Infos

# 78

1554.92730

11.12240

BU

Infos

# 79

1571.82870

0.00000

AG

Infos

# 80

1596.20470

0.00000

AG

Infos

# 81

1602.16700

118.30990

BU

Infos

# 82

1603.00090

0.00000

AG

Infos

# 83

1635.39790

182.71380

BU

Infos

# 84

1651.48830

0.00000

AG

Infos

# 85

3146.22080

70.79140

BU

Infos

# 86

3146.30790

0.00000

AG

Infos

# 87

3148.88500

1.38440

BU

Infos

# 88

3149.23310

0.00000

AG

Infos

# 89

3158.85320

16.98950

BU

Infos

# 90

3158.99380

0.00000

AG

Infos

# 91

3168.38200

11.53020

BU

Infos

# 92

3169.17890

0.00000

AG

Infos

# 93

3172.21030

0.00000

AG

Infos

# 94

3172.88750

183.86840

BU

Infos

# 95

3180.88300

172.27810

BU

Infos

# 96

3181.74700

0.00000

AG

Infos