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

Energy
(eV)

-618.33727

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
6-311G**


Rotational Constants
(cm-1)

a
0.03091
b
0.01800
c
0.01157

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

74.51800

0.03930

BU

Infos

# 2

107.35100

0.20690

AU

Infos

# 3

191.53710

0.00000

AG

Infos

# 4

197.77110

8.72800

BU

Infos

# 5

215.99950

0.00000

BG

Infos

# 6

251.35170

0.55430

AU

Infos

# 7

321.18960

0.00000

AG

Infos

# 8

365.65740

0.46570

AU

Infos

# 9

398.79070

0.00000

BG

Infos

# 10

400.39360

0.00000

AG

Infos

# 11

462.58850

0.62720

BU

Infos

# 12

490.13380

0.86200

BU

Infos

# 13

501.85620

0.00000

BG

Infos

# 14

505.98030

0.00000

BG

Infos

# 15

506.95250

2.79780

AU

Infos

# 16

571.32960

0.00000

AG

Infos

# 17

585.75470

0.26160

AU

Infos

# 18

589.94400

0.00000

AG

Infos

# 19

594.71150

7.34240

BU

Infos

# 20

668.58750

0.00000

BG

Infos

# 21

717.32680

10.10370

BU

Infos

# 22

750.57330

41.59870

BU

Infos

# 23

779.22240

0.00000

AG

Infos

# 24

794.02600

0.00000

AG

Infos

# 25

806.36210

40.61330

BU

Infos

# 26

811.19640

0.00000

AG

Infos

# 27

819.97570

0.00000

BG

Infos

# 28

880.51270

6.04380

BU

Infos

# 29

898.24780

1.99840

AU

Infos

# 30

910.39710

0.00000

BG

Infos

# 31

914.54170

0.99780

AU

Infos

# 32

973.94240

0.00000

AG

Infos

# 33

974.64920

1.05410

BU

Infos

# 34

1007.10270

0.00000

AG

Infos

# 35

1023.13880

1.21610

BU

Infos

# 36

1028.18520

2.76370

AU

Infos

# 37

1049.53350

0.00000

AG

Infos

# 38

1056.74590

0.00000

BG

Infos

# 39

1062.25850

1.77780

AU

Infos

# 40

1102.44880

0.00000

AG

Infos

# 41

1124.12670

4.46890

BU

Infos

# 42

1189.12450

0.00000

BG

Infos

# 43

1197.30580

3.31590

AU

Infos

# 44

1199.53140

0.79450

BU

Infos

# 45

1205.41840

0.00000

BG

Infos

# 46

1214.76490

0.46210

AU

Infos

# 47

1233.45470

0.00000

AG

Infos

# 48

1243.43150

1.69940

BU

Infos

# 49

1264.04930

0.00000

BG

Infos

# 50

1268.12230

0.00000

AG

Infos

# 51

1277.38210

11.02380

AU

Infos

# 52

1301.33090

0.00000

AG

Infos

# 53

1327.95640

0.00000

BG

Infos

# 54

1330.29940

11.38020

AU

Infos

# 55

1362.48960

0.00000

AG

Infos

# 56

1376.50270

3.48810

AU

Infos

# 57

1388.04760

0.00000

BG

Infos

# 58

1389.68680

0.00090

BU

Infos

# 59

1464.39810

11.65130

BU

Infos

# 60

1476.40100

0.00000

BG

Infos

# 61

1483.60750

22.97980

AU

Infos

# 62

1485.39810

0.00000

AG

Infos

# 63

1486.39960

1.38980

AU

Infos

# 64

1487.34520

25.26470

BU

Infos

# 65

1500.30350

0.00000

AG

Infos

# 66

1512.38060

0.00000

BG

Infos

# 67

1605.18540

2.01620

AU

Infos

# 68

1632.07690

0.00000

AG

Infos

# 69

1636.87680

0.00000

BG

Infos

# 70

1640.28780

2.20600

BU

Infos

# 71

2983.38360

31.77780

AU

Infos

# 72

2983.76540

0.00000

AG

Infos

# 73

2995.14970

0.00000

BG

Infos

# 74

2995.34960

77.72520

BU

Infos

# 75

3059.46580

98.00660

AU

Infos

# 76

3059.92370

0.00000

AG

Infos

# 77

3059.94850

0.00000

BG

Infos

# 78

3060.16390

47.25270

BU

Infos

# 79

3149.68810

3.69760

BU

Infos

# 80

3150.00990

0.00000

AG

Infos

# 81

3156.92890

50.36940

AU

Infos

# 82

3156.97910

0.00000

BG

Infos

# 83

3179.01870

67.35710

BU

Infos

# 84

3179.26390

0.00000

AG

Infos