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Anthanthrene++ (C22H12++)
Electronic States :

Energy
(eV)

-845.18155

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02104
b
0.00809
c
0.00584

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

67.39470

1.23260

AU

Infos

# 2

93.97230

1.33010

AU

Infos

# 3

162.63580

0.00000

BG

Infos

# 4

177.38170

16.53260

AU

Infos

# 5

188.78780

0.00000

BG

Infos

# 6

259.90360

1.42050

BU

Infos

# 7

274.65060

0.00000

BG

Infos

# 8

284.19690

0.78020

AU

Infos

# 9

311.59000

0.21540

AU

Infos

# 10

339.66070

0.00000

AG

Infos

# 11

374.16290

0.00000

AG

Infos

# 12

390.46720

0.00000

BG

Infos

# 13

443.34360

2.45470

AU

Infos

# 14

444.56540

0.00000

AG

Infos

# 15

466.47100

2.42470

BU

Infos

# 16

475.21110

0.00000

BG

Infos

# 17

488.86430

15.61120

BU

Infos

# 18

492.78390

0.00000

BG

Infos

# 19

521.83820

1.41780

AU

Infos

# 20

530.12010

0.00000

AG

Infos

# 21

545.90680

3.34260

BU

Infos

# 22

556.20950

0.00000

AG

Infos

# 23

558.55870

5.88660

AU

Infos

# 24

587.18620

0.00000

BG

Infos

# 25

589.23010

7.05160

BU

Infos

# 26

649.86450

0.00000

AG

Infos

# 27

688.55750

21.97200

AU

Infos

# 28

690.97840

0.00000

BG

Infos

# 29

732.87250

51.47990

BU

Infos

# 30

753.26100

0.00000

AG

Infos

# 31

756.79400

40.18310

AU

Infos

# 32

758.83000

3.90800

BU

Infos

# 33

793.54690

0.00000

BG

Infos

# 34

818.78950

0.00000

AG

Infos

# 35

828.33690

6.32340

AU

Infos

# 36

830.23010

0.00000

BG

Infos

# 37

858.12650

29.26080

AU

Infos

# 38

875.77240

0.00000

BG

Infos

# 39

895.41130

10.64050

BU

Infos

# 40

920.81770

0.00000

BG

Infos

# 41

942.23620

78.33070

AU

Infos

# 42

964.01000

5.24170

AU

Infos

# 43

976.49920

0.00000

BG

Infos

# 44

981.07970

39.78840

BU

Infos

# 45

998.07850

0.00000

BG

Infos

# 46

1003.85720

0.57260

AU

Infos

# 47

1010.70110

0.00000

AG

Infos

# 48

1023.22220

0.14920

AU

Infos

# 49

1023.74460

0.00000

BG

Infos

# 50

1070.55880

0.00000

AG

Infos

# 51

1099.29800

2.82580

BU

Infos

# 52

1114.59490

24.65870

BU

Infos

# 53

1124.08890

0.00000

AG

Infos

# 54

1156.43660

16.42660

BU

Infos

# 55

1173.68200

0.00000

AG

Infos

# 56

1199.67750

13.03230

BU

Infos

# 57

1207.92750

86.66250

BU

Infos

# 58

1208.98840

0.00000

AG

Infos

# 59

1215.93400

0.00000

AG

Infos

# 60

1249.63970

0.00000

AG

Infos

# 61

1258.42430

85.11050

BU

Infos

# 62

1283.79510

89.06490

BU

Infos

# 63

1287.73790

0.00000

AG

Infos

# 64

1323.90170

0.00000

AG

Infos

# 65

1327.99430

42.73600

BU

Infos

# 66

1375.89490

10.94510

BU

Infos

# 67

1403.75920

14.80580

BU

Infos

# 68

1415.11290

0.00000

AG

Infos

# 69

1435.41150

0.00000

AG

Infos

# 70

1445.53620

20.12320

BU

Infos

# 71

1454.12990

0.00000

AG

Infos

# 72

1457.97380

0.42210

BU

Infos

# 73

1458.04330

0.00000

AG

Infos

# 74

1476.36470

0.00000

AG

Infos

# 75

1506.40190

0.00000

AG

Infos

# 76

1516.47860

0.84930

BU

Infos

# 77

1526.34770

7.46610

BU

Infos

# 78

1536.79070

190.14170

BU

Infos

# 79

1549.17290

0.00000

AG

Infos

# 80

1564.81670

0.00000

AG

Infos

# 81

1566.67530

263.05070

BU

Infos

# 82

1603.55180

0.00000

AG

Infos

# 83

1617.83940

101.94690

BU

Infos

# 84

1646.85690

0.00000

AG

Infos

# 85

3207.28970

3.61290

BU

Infos

# 86

3207.66180

0.00000

AG

Infos

# 87

3210.52080

2.17870

BU

Infos

# 88

3210.66730

0.00000

AG

Infos

# 89

3211.33280

19.21560

BU

Infos

# 90

3211.52810

0.00000

AG

Infos

# 91

3215.57340

5.79850

BU

Infos

# 92

3215.69950

0.00000

AG

Infos

# 93

3221.31580

0.00000

AG

Infos

# 94

3221.31820

15.58380

BU

Infos

# 95

3235.33440

21.12610

BU

Infos

# 96

3235.37370

0.00000

AG

Infos