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Tetrahydro(4,5,9,10)pyrene (C16H14)
Electronic States :

Energy
(eV)

-617.39583

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
4-31G


Rotational Constants
(cm-1)

a
0.03080
b
0.01796
c
0.01154

Dipole Moments
(Debye)

mu_x
0.00000
mu_y
0.00000
mu_z
0.00000

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

76.04430

0.04640

BU

Infos

# 2

107.95160

0.30230

AU

Infos

# 3

192.24320

0.00000

AG

Infos

# 4

200.83750

7.31790

BU

Infos

# 5

221.91390

0.00000

BG

Infos

# 6

255.66580

0.86640

AU

Infos

# 7

325.99650

0.00000

AG

Infos

# 8

372.13630

0.49240

AU

Infos

# 9

409.11590

0.00000

BG

Infos

# 10

409.87380

0.00000

AG

Infos

# 11

474.03610

0.77160

BU

Infos

# 12

500.59940

0.74490

BU

Infos

# 13

513.49560

0.00000

BG

Infos

# 14

517.38880

0.00000

BG

Infos

# 15

518.12090

2.71070

AU

Infos

# 16

578.79290

0.00000

AG

Infos

# 17

599.01970

0.23100

AU

Infos

# 18

601.99800

0.00000

AG

Infos

# 19

611.58230

6.74470

BU

Infos

# 20

686.33340

0.00000

BG

Infos

# 21

734.28610

8.76990

BU

Infos

# 22

768.84580

28.22650

BU

Infos

# 23

801.21490

0.00000

AG

Infos

# 24

810.33450

0.00000

AG

Infos

# 25

827.72060

44.63260

BU

Infos

# 26

831.27800

0.00000

AG

Infos

# 27

842.76930

0.00000

BG

Infos

# 28

906.02820

7.58950

BU

Infos

# 29

917.98150

2.76360

AU

Infos

# 30

935.06120

0.08720

AU

Infos

# 31

939.01400

0.00000

BG

Infos

# 32

1009.09640

0.00000

AG

Infos

# 33

1010.73730

1.35180

BU

Infos

# 34

1027.90170

0.00000

AG

Infos

# 35

1049.19930

0.78810

BU

Infos

# 36

1054.19430

0.44070

AU

Infos

# 37

1076.76970

0.00000

BG

Infos

# 38

1080.30820

0.00000

AG

Infos

# 39

1086.14070

2.29480

AU

Infos

# 40

1125.31730

0.00000

AG

Infos

# 41

1149.01510

2.78200

BU

Infos

# 42

1224.19880

0.00000

BG

Infos

# 43

1232.57860

0.85740

BU

Infos

# 44

1234.50680

2.56280

AU

Infos

# 45

1244.55870

0.00000

BG

Infos

# 46

1253.16300

0.23810

AU

Infos

# 47

1258.63940

0.00000

AG

Infos

# 48

1279.25220

2.10830

BU

Infos

# 49

1296.16730

0.00000

AG

Infos

# 50

1296.65190

8.98980

AU

Infos

# 51

1306.42440

0.00000

BG

Infos

# 52

1325.76730

0.00000

AG

Infos

# 53

1352.91600

0.00000

BG

Infos

# 54

1361.56610

14.63560

AU

Infos

# 55

1385.22520

0.00000

AG

Infos

# 56

1401.84520

2.39920

AU

Infos

# 57

1417.17390

0.29440

BU

Infos

# 58

1428.04160

0.00000

BG

Infos

# 59

1501.39640

19.58950

BU

Infos

# 60

1514.70930

18.62360

AU

Infos

# 61

1521.57180

0.00000

AG

Infos

# 62

1527.06220

0.00000

BG

Infos

# 63

1535.23260

2.49320

AU

Infos

# 64

1535.31510

14.86680

BU

Infos

# 65

1538.33310

0.00000

AG

Infos

# 66

1543.45970

0.00000

BG

Infos

# 67

1623.31540

1.13770

AU

Infos

# 68

1648.94830

0.00000

AG

Infos

# 69

1651.98290

0.00000

BG

Infos

# 70

1657.92770

1.98650

BU

Infos

# 71

2991.89400

30.82830

AU

Infos

# 72

2992.31070

0.00000

AG

Infos

# 73

3003.16670

0.00000

BG

Infos

# 74

3003.44090

84.26660

BU

Infos

# 75

3070.42000

100.68090

AU

Infos

# 76

3070.76230

0.00000

BG

Infos

# 77

3070.92680

0.00000

AG

Infos

# 78

3071.04010

54.93650

BU

Infos

# 79

3170.85010

3.12700

BU

Infos

# 80

3171.18910

0.00000

AG

Infos

# 81

3178.71160

61.10050

AU

Infos

# 82

3178.74520

0.00000

BG

Infos

# 83

3204.00700

92.26330

BU

Infos

# 84

3204.39230

0.00000

AG

Infos