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Tetracene++ (C18H12++)
Electronic States :

Energy
(eV)

-692.65975

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05446
b
0.00706
c
0.00625

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

55.11320

2.72070

B3U

Infos

# 2

87.78270

0.00000

AU

Infos

# 3

139.45980

0.00000

B1G

Infos

# 4

157.42920

0.59700

B1U

Infos

# 5

190.86540

0.00000

B2G

Infos

# 6

247.33110

0.50530

B3U

Infos

# 7

298.58510

0.00000

B3G

Infos

# 8

306.83710

0.00000

AU

Infos

# 9

311.72180

0.00000

AG

Infos

# 10

360.47150

0.00000

B1G

Infos

# 11

419.22720

39.45990

B3U

Infos

# 12

429.49690

0.00000

B1G

Infos

# 13

438.14300

0.05680

B1U

Infos

# 14

464.15830

0.00000

B2G

Infos

# 15

473.05580

7.65680

B3U

Infos

# 16

484.52460

0.00000

B3G

Infos

# 17

503.44990

0.00000

AU

Infos

# 18

539.78030

54.08210

B2U

Infos

# 19

573.19260

0.31540

B1U

Infos

# 20

605.73850

0.00000

AG

Infos

# 21

618.01840

26.91890

B2U

Infos

# 22

681.53670

0.00000

B2G

Infos

# 23

739.80500

0.00000

AU

Infos

# 24

760.82870

0.00000

B1G

Infos

# 25

763.83110

95.88390

B3U

Infos

# 26

771.05070

41.09520

B2U

Infos

# 27

771.92120

0.00000

AG

Infos

# 28

772.01280

0.00000

B2G

Infos

# 29

782.01080

0.00000

B3G

Infos

# 30

865.57190

0.00000

AU

Infos

# 31

873.85870

0.00000

AG

Infos

# 32

888.17580

0.00000

B2G

Infos

# 33

896.58840

0.00000

B3G

Infos

# 34

898.31430

0.00000

B1G

Infos

# 35

930.64930

0.42940

B1U

Infos

# 36

933.68480

0.00000

AU

Infos

# 37

954.77580

46.88330

B3U

Infos

# 38

965.72260

0.00000

B2G

Infos

# 39

992.75740

0.00000

B1G

Infos

# 40

996.32790

10.83550

B3U

Infos

# 41

1024.41040

0.00000

AU

Infos

# 42

1024.58040

0.00000

B2G

Infos

# 43

1050.65010

42.78090

B2U

Infos

# 44

1053.02650

0.00000

AG

Infos

# 45

1098.87390

8.03320

B1U

Infos

# 46

1118.02990

0.00000

B3G

Infos

# 47

1185.37010

9.78880

B2U

Infos

# 48

1200.82870

0.00000

AG

Infos

# 49

1204.78350

0.00000

B3G

Infos

# 50

1206.07380

259.04190

B2U

Infos

# 51

1212.64660

0.80080

B1U

Infos

# 52

1239.55470

0.00000

AG

Infos

# 53

1262.88140

11.21880

B1U

Infos

# 54

1270.04780

691.40570

B2U

Infos

# 55

1304.04810

0.00000

B3G

Infos

# 56

1321.55810

4.66810

B1U

Infos

# 57

1351.65850

0.00000

B3G

Infos

# 58

1415.54830

0.00000

AG

Infos

# 59

1419.61980

10.74360

B1U

Infos

# 60

1438.24660

38.06510

B2U

Infos

# 61

1447.83060

59.70510

B2U

Infos

# 62

1454.04960

0.00000

B3G

Infos

# 63

1462.20170

0.00000

AG

Infos

# 64

1487.16550

0.00000

AG

Infos

# 65

1487.32060

207.59710

B1U

Infos

# 66

1516.04450

43.57060

B2U

Infos

# 67

1543.85820

0.00000

B3G

Infos

# 68

1553.12730

7.25990

B1U

Infos

# 69

1565.36480

0.00000

AG

Infos

# 70

1582.05900

94.00950

B2U

Infos

# 71

1607.33100

0.00000

AG

Infos

# 72

1620.99600

0.00000

B3G

Infos

# 73

3203.30570

0.00000

B3G

Infos

# 74

3205.33820

0.39390

B2U

Infos

# 75

3205.35070

7.99420

B1U

Infos

# 76

3207.56240

0.00000

AG

Infos

# 77

3209.92590

12.68000

B1U

Infos

# 78

3209.98320

0.00000

B3G

Infos

# 79

3212.30520

0.66480

B2U

Infos

# 80

3212.52910

0.00000

AG

Infos

# 81

3226.01950

8.99350

B1U

Infos

# 82

3226.06930

0.00000

B3G

Infos

# 83

3235.15380

33.38270

B2U

Infos

# 84

3235.21110

0.00000

AG

Infos