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Anthanthrene+ (C22H12+)
Electronic States :

Energy
(eV)

-845.59500

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02090
b
0.00818
c
0.00588

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

68.17340

1.56550

AU

Infos

# 2

97.69320

0.59920

AU

Infos

# 3

164.95900

0.00000

BG

Infos

# 4

184.18270

11.19900

AU

Infos

# 5

200.83220

0.00000

BG

Infos

# 6

263.44940

1.88720

BU

Infos

# 7

285.79330

0.00000

BG

Infos

# 8

291.30790

0.76490

AU

Infos

# 9

319.31800

0.20520

AU

Infos

# 10

343.34960

0.00000

AG

Infos

# 11

385.07560

0.00000

AG

Infos

# 12

404.55720

0.00000

BG

Infos

# 13

449.69480

0.00000

AG

Infos

# 14

467.26300

4.86410

BU

Infos

# 15

477.64180

2.79360

AU

Infos

# 16

495.56830

0.00000

BG

Infos

# 17

498.45110

2.48600

BU

Infos

# 18

524.53150

0.00000

BG

Infos

# 19

531.44870

0.00000

AG

Infos

# 20

548.05970

0.09950

AU

Infos

# 21

557.51640

0.00000

AG

Infos

# 22

562.65010

0.10420

BU

Infos

# 23

573.80680

9.06820

AU

Infos

# 24

598.38870

3.05960

BU

Infos

# 25

653.74070

0.00000

BG

Infos

# 26

657.29480

0.00000

AG

Infos

# 27

706.12150

0.00000

BG

Infos

# 28

718.93240

21.21040

AU

Infos

# 29

757.79440

0.00000

AG

Infos

# 30

758.27330

2.96020

BU

Infos

# 31

768.62750

46.03050

AU

Infos

# 32

768.81600

2.21220

BU

Infos

# 33

789.86980

0.00000

BG

Infos

# 34

827.86220

0.00000

AG

Infos

# 35

828.70890

2.10120

AU

Infos

# 36

851.40410

40.12480

AU

Infos

# 37

855.59960

0.00000

BG

Infos

# 38

872.79410

0.00000

BG

Infos

# 39

907.66950

1.06690

BU

Infos

# 40

925.66650

0.00000

BG

Infos

# 41

937.59340

69.26030

AU

Infos

# 42

957.70550

19.55810

AU

Infos

# 43

968.12030

0.00000

BG

Infos

# 44

989.25100

6.41410

BU

Infos

# 45

998.71970

0.00000

BG

Infos

# 46

1002.96600

2.60100

AU

Infos

# 47

1011.11160

0.61560

AU

Infos

# 48

1012.51050

0.00000

BG

Infos

# 49

1020.29980

0.00000

AG

Infos

# 50

1074.71250

0.00000

AG

Infos

# 51

1097.23560

0.96220

BU

Infos

# 52

1116.08000

4.21410

BU

Infos

# 53

1119.66000

0.00000

AG

Infos

# 54

1172.38320

5.92560

BU

Infos

# 55

1178.28650

0.00000

AG

Infos

# 56

1199.84610

21.99820

BU

Infos

# 57

1210.26740

0.00000

AG

Infos

# 58

1212.00740

0.00000

AG

Infos

# 59

1219.60720

22.94480

BU

Infos

# 60

1253.96770

0.00000

AG

Infos

# 61

1259.19350

81.87680

BU

Infos

# 62

1296.69520

0.00000

AG

Infos

# 63

1303.57870

138.91730

BU

Infos

# 64

1330.62220

0.00000

AG

Infos

# 65

1377.54730

6.03460

BU

Infos

# 66

1402.45690

43.81650

BU

Infos

# 67

1409.56690

0.00000

AG

Infos

# 68

1428.64710

0.00000

AG

Infos

# 69

1429.09130

143.93830

BU

Infos

# 70

1440.69360

5.18030

BU

Infos

# 71

1455.44830

0.00000

AG

Infos

# 72

1465.04420

0.00000

AG

Infos

# 73

1483.06130

0.00000

AG

Infos

# 74

1495.85110

0.00000

AG

Infos

# 75

1496.05460

35.68200

BU

Infos

# 76

1505.41320

4.15660

BU

Infos

# 77

1537.00980

49.15180

BU

Infos

# 78

1567.88450

9.04400

BU

Infos

# 79

1589.13890

0.00000

AG

Infos

# 80

1603.28540

0.00000

AG

Infos

# 81

1611.05910

25.00890

BU

Infos

# 82

1623.12910

0.00000

AG

Infos

# 83

1635.99810

189.55590

BU

Infos

# 84

1664.42000

0.00000

AG

Infos

# 85

3198.92160

0.94680

BU

Infos

# 86

3199.20750

0.00000

AG

Infos

# 87

3202.78350

0.13340

BU

Infos

# 88

3203.33240

0.00000

AG

Infos

# 89

3203.98130

0.00000

AG

Infos

# 90

3204.20820

1.09160

BU

Infos

# 91

3208.26790

1.30280

BU

Infos

# 92

3208.39280

0.00000

AG

Infos

# 93

3218.21310

4.61300

BU

Infos

# 94

3218.24270

0.00000

AG

Infos

# 95

3227.99240

3.23030

BU

Infos

# 96

3228.06950

0.00000

AG

Infos