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Tetracene- (C18H12-)
Electronic States :

Energy
(eV)

-693.34952

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05464
b
0.00700
c
0.00621

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

57.87380

0.65220

B3U

Infos

# 2

87.78370

0.00000

AU

Infos

# 3

153.15860

0.00000

B1G

Infos

# 4

161.51810

1.79330

B1U

Infos

# 5

194.43430

0.00000

B2G

Infos

# 6

290.57230

0.70780

B3U

Infos

# 7

298.79380

0.00000

B3G

Infos

# 8

307.61280

0.00000

AU

Infos

# 9

315.19130

0.00000

AG

Infos

# 10

349.05490

0.00000

B1G

Infos

# 11

442.02450

0.48490

B1U

Infos

# 12

471.88790

8.06410

B3U

Infos

# 13

472.35740

0.00000

B1G

Infos

# 14

473.40460

20.38430

B3U

Infos

# 15

502.45060

0.00000

B3G

Infos

# 16

555.78960

33.74530

B2U

Infos

# 17

557.15330

0.00000

B2G

Infos

# 18

579.40070

0.00000

AU

Infos

# 19

618.18050

0.00620

B1U

Infos

# 20

624.96860

0.00000

AG

Infos

# 21

627.87840

3.10000

B2U

Infos

# 22

710.44500

0.00000

B1G

Infos

# 23

724.03230

120.52870

B3U

Infos

# 24

736.46570

0.00000

B2G

Infos

# 25

755.95540

0.00000

AG

Infos

# 26

758.24540

0.00000

AU

Infos

# 27

763.67450

44.75730

B2U

Infos

# 28

776.89520

0.00000

AU

Infos

# 29

779.80920

0.00000

B3G

Infos

# 30

784.27180

0.00000

B2G

Infos

# 31

793.05310

0.00000

B1G

Infos

# 32

817.27130

0.00000

B2G

Infos

# 33

844.78710

111.60410

B3U

Infos

# 34

860.07400

0.00000

AU

Infos

# 35

871.74410

0.00000

AG

Infos

# 36

891.19480

0.00000

B3G

Infos

# 37

898.87700

0.00000

B1G

Infos

# 38

901.40950

36.96950

B3U

Infos

# 39

901.56360

0.00000

B2G

Infos

# 40

924.57960

0.00000

AU

Infos

# 41

925.42290

0.00000

B2G

Infos

# 42

928.97790

0.00060

B1U

Infos

# 43

1035.96360

0.00000

AG

Infos

# 44

1035.96780

49.01680

B2U

Infos

# 45

1122.10800

18.83210

B1U

Infos

# 46

1125.30590

0.00000

B3G

Infos

# 47

1157.20490

9.95830

B2U

Infos

# 48

1163.55420

0.00000

AG

Infos

# 49

1171.61920

0.00000

B3G

Infos

# 50

1193.05720

73.60600

B2U

Infos

# 51

1218.30940

1.60030

B1U

Infos

# 52

1228.45960

0.00000

AG

Infos

# 53

1282.64470

0.00000

B3G

Infos

# 54

1286.51480

0.05080

B1U

Infos

# 55

1297.68130

10.52670

B2U

Infos

# 56

1302.22680

7.08660

B1U

Infos

# 57

1325.05420

0.00000

B3G

Infos

# 58

1394.73500

636.56840

B2U

Infos

# 59

1403.35230

2.30880

B1U

Infos

# 60

1413.38080

0.00000

AG

Infos

# 61

1429.66760

0.00000

AG

Infos

# 62

1431.83040

494.27650

B2U

Infos

# 63

1459.95290

0.00000

B3G

Infos

# 64

1467.03190

0.00000

AG

Infos

# 65

1503.38700

52.59540

B2U

Infos

# 66

1538.03350

0.00000

AG

Infos

# 67

1538.65190

0.00000

B3G

Infos

# 68

1563.88830

0.00040

B1U

Infos

# 69

1567.43130

314.07460

B2U

Infos

# 70

1579.70330

0.00000

AG

Infos

# 71

1619.49830

0.45080

B1U

Infos

# 72

1621.53320

0.00000

B3G

Infos

# 73

3143.65220

0.00000

B3G

Infos

# 74

3143.82290

0.50270

B1U

Infos

# 75

3147.17460

0.25230

B2U

Infos

# 76

3147.79090

0.00000

B3G

Infos

# 77

3149.66250

0.00000

AG

Infos

# 78

3152.29530

66.64050

B1U

Infos

# 79

3152.79790

6.94290

B2U

Infos

# 80

3157.25360

0.00000

AG

Infos

# 81

3165.79170

0.00000

B3G

Infos

# 82

3166.06300

156.71060

B1U

Infos

# 83

3183.07840

186.43760

B2U

Infos

# 84

3183.61300

0.00000

AG

Infos