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Tetracene++ (C18H12++)
Electronic States :

Energy
(eV)

-692.68931

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05427
b
0.00712
c
0.00629

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

53.39130

1.65820

B3U

Infos

# 2

90.50920

0.00000

AU

Infos

# 3

139.40120

0.00000

B1G

Infos

# 4

165.07930

0.00530

B1U

Infos

# 5

193.21270

0.00000

B2G

Infos

# 6

245.03750

1.44620

B3U

Infos

# 7

303.02820

0.00000

B3G

Infos

# 8

314.01120

0.00000

AG

Infos

# 9

325.61560

0.00000

AU

Infos

# 10

387.95760

0.00000

B1G

Infos

# 11

428.13640

47.81390

B3U

Infos

# 12

442.06700

0.20440

B1U

Infos

# 13

443.62090

3.10590

B3U

Infos

# 14

460.62570

0.00000

B3G

Infos

# 15

473.77970

0.00000

B1G

Infos

# 16

475.35510

0.00000

B2G

Infos

# 17

533.20300

0.00000

AU

Infos

# 18

550.40510

7.05190

B2U

Infos

# 19

616.35450

0.00000

AG

Infos

# 20

619.39140

2.11600

B2U

Infos

# 21

620.77850

1.33090

B1U

Infos

# 22

706.73800

0.00000

B2G

Infos

# 23

760.08190

0.00000

AU

Infos

# 24

764.58720

0.00000

AG

Infos

# 25

772.58890

4.36300

B2U

Infos

# 26

778.51730

107.02660

B3U

Infos

# 27

781.36630

0.00000

B1G

Infos

# 28

786.60260

0.00000

B2G

Infos

# 29

794.76690

0.00000

B3G

Infos

# 30

882.82980

0.00000

AU

Infos

# 31

884.60910

0.00000

AG

Infos

# 32

899.01890

0.00000

B3G

Infos

# 33

903.94630

0.00000

B2G

Infos

# 34

931.91590

0.05860

B1U

Infos

# 35

942.90130

0.00000

B1G

Infos

# 36

954.58770

0.00000

AU

Infos

# 37

985.14240

18.47390

B3U

Infos

# 38

1004.33090

0.00000

B2G

Infos

# 39

1007.19130

0.00000

B1G

Infos

# 40

1014.16260

22.09560

B3U

Infos

# 41

1035.94240

0.00000

AU

Infos

# 42

1036.29000

0.00000

B2G

Infos

# 43

1050.39890

55.25110

B2U

Infos

# 44

1051.55740

0.00000

AG

Infos

# 45

1128.30290

0.00000

B3G

Infos

# 46

1130.41260

2.84480

B1U

Infos

# 47

1183.86970

0.00000

B3G

Infos

# 48

1198.44280

26.36700

B2U

Infos

# 49

1204.65530

0.00000

AG

Infos

# 50

1224.40540

335.79360

B2U

Infos

# 51

1247.17450

4.10280

B1U

Infos

# 52

1254.21500

0.00000

AG

Infos

# 53

1302.61300

0.00000

B3G

Infos

# 54

1313.35500

8.97390

B1U

Infos

# 55

1319.56100

109.89080

B2U

Infos

# 56

1325.46370

31.47430

B1U

Infos

# 57

1347.14760

0.00000

B3G

Infos

# 58

1410.30740

545.58610

B2U

Infos

# 59

1425.25470

0.00000

AG

Infos

# 60

1433.58810

34.23460

B1U

Infos

# 61

1465.52530

0.00000

AG

Infos

# 62

1475.93160

0.00000

B3G

Infos

# 63

1483.26570

0.00000

B3G

Infos

# 64

1484.12610

0.00000

AG

Infos

# 65

1503.57310

80.77570

B2U

Infos

# 66

1541.35950

582.54430

B2U

Infos

# 67

1547.37970

47.18890

B1U

Infos

# 68

1563.53950

0.00000

AG

Infos

# 69

1599.92680

605.76200

B2U

Infos

# 70

1605.25130

0.00000

AG

Infos

# 71

1615.39360

0.00000

B3G

Infos

# 72

1626.67260

121.71230

B1U

Infos

# 73

3199.19550

0.00000

B3G

Infos

# 74

3200.65670

1.17960

B2U

Infos

# 75

3201.13690

8.57150

B1U

Infos

# 76

3202.72740

0.00000

AG

Infos

# 77

3211.76960

5.92360

B1U

Infos

# 78

3211.77190

0.00000

B3G

Infos

# 79

3213.88280

0.19690

B2U

Infos

# 80

3214.02570

0.00000

AG

Infos

# 81

3225.62940

0.00000

B3G

Infos

# 82

3225.71920

10.32350

B1U

Infos

# 83

3234.79360

29.88130

B2U

Infos

# 84

3234.81730

0.00000

AG

Infos