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Anthanthrene++ (C22H12++)
Electronic States :

Energy
(eV)

-845.21272

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02093
b
0.00816
c
0.00587

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

68.65590

3.29630

AU

Infos

# 2

96.05060

0.56550

AU

Infos

# 3

161.85000

0.00000

BG

Infos

# 4

178.42920

15.10770

AU

Infos

# 5

196.67080

0.00000

BG

Infos

# 6

262.11350

1.63210

BU

Infos

# 7

277.47210

0.00000

BG

Infos

# 8

282.55380

0.55870

AU

Infos

# 9

313.65250

2.83680

AU

Infos

# 10

342.60930

0.00000

AG

Infos

# 11

383.30320

0.00000

AG

Infos

# 12

406.46380

0.00000

BG

Infos

# 13

447.10740

0.00000

AG

Infos

# 14

459.21510

2.53540

AU

Infos

# 15

464.45510

0.00000

BG

Infos

# 16

464.69500

3.94140

BU

Infos

# 17

495.60510

5.80250

BU

Infos

# 18

518.19930

0.00000

BG

Infos

# 19

526.90020

4.26890

AU

Infos

# 20

529.93240

0.00000

AG

Infos

# 21

557.37920

0.00000

AG

Infos

# 22

561.87250

3.44420

BU

Infos

# 23

562.56530

9.35250

AU

Infos

# 24

591.98710

13.08610

BU

Infos

# 25

639.35860

0.00000

BG

Infos

# 26

652.12340

0.00000

AG

Infos

# 27

689.25260

0.00000

BG

Infos

# 28

709.86470

25.62050

AU

Infos

# 29

753.25400

0.00000

AG

Infos

# 30

757.31850

43.39330

BU

Infos

# 31

758.99400

26.08270

AU

Infos

# 32

767.38530

0.60460

BU

Infos

# 33

806.06070

0.00000

BG

Infos

# 34

825.56130

0.00000

AG

Infos

# 35

832.89080

0.35420

AU

Infos

# 36

848.09570

0.00000

BG

Infos

# 37

864.44480

59.12790

AU

Infos

# 38

880.22700

0.00000

BG

Infos

# 39

907.47170

16.13870

BU

Infos

# 40

958.99090

0.00000

BG

Infos

# 41

966.18750

57.85140

AU

Infos

# 42

990.00520

41.66380

BU

Infos

# 43

992.27150

1.32500

AU

Infos

# 44

1008.86430

0.00000

BG

Infos

# 45

1009.68580

0.00000

BG

Infos

# 46

1016.78640

0.00000

AG

Infos

# 47

1021.83710

5.09360

AU

Infos

# 48

1034.07190

0.40040

AU

Infos

# 49

1035.09220

0.00000

BG

Infos

# 50

1077.10250

0.00000

AG

Infos

# 51

1100.47150

1.13460

BU

Infos

# 52

1124.52250

0.00000

AG

Infos

# 53

1125.55620

8.90400

BU

Infos

# 54

1170.24100

25.89250

BU

Infos

# 55

1179.96200

0.00000

AG

Infos

# 56

1206.69820

0.00000

AG

Infos

# 57

1212.08430

53.21900

BU

Infos

# 58

1223.54080

0.00000

AG

Infos

# 59

1230.49480

17.75330

BU

Infos

# 60

1248.33100

0.00000

AG

Infos

# 61

1252.94500

262.68350

BU

Infos

# 62

1297.04570

87.41300

BU

Infos

# 63

1305.49810

0.00000

AG

Infos

# 64

1321.25460

0.00000

AG

Infos

# 65

1390.94600

1.98840

BU

Infos

# 66

1405.13220

452.20500

BU

Infos

# 67

1405.48150

0.00000

AG

Infos

# 68

1423.26890

102.43750

BU

Infos

# 69

1432.70560

0.00000

AG

Infos

# 70

1453.53550

0.00000

AG

Infos

# 71

1455.98500

139.89430

BU

Infos

# 72

1458.67980

0.00000

AG

Infos

# 73

1473.05280

0.00000

AG

Infos

# 74

1491.71530

80.89290

BU

Infos

# 75

1508.72410

0.00000

AG

Infos

# 76

1520.56400

114.85550

BU

Infos

# 77

1546.22970

57.89970

BU

Infos

# 78

1561.82840

60.73370

BU

Infos

# 79

1572.71780

0.00000

AG

Infos

# 80

1597.47050

0.00000

AG

Infos

# 81

1615.02490

170.51180

BU

Infos

# 82

1618.09460

0.00000

AG

Infos

# 83

1630.91120

430.13110

BU

Infos

# 84

1667.54270

0.00000

AG

Infos

# 85

3203.02460

4.04900

BU

Infos

# 86

3203.15690

0.00000

AG

Infos

# 87

3208.42580

2.19000

BU

Infos

# 88

3208.50250

0.00000

AG

Infos

# 89

3210.68130

0.00000

AG

Infos

# 90

3210.83870

6.72990

BU

Infos

# 91

3213.62290

3.50260

BU

Infos

# 92

3213.80160

0.00000

AG

Infos

# 93

3224.81720

10.83620

BU

Infos

# 94

3224.86800

0.00000

AG

Infos

# 95

3236.14330

22.13850

BU

Infos

# 96

3236.19280

0.00000

AG

Infos