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

Energy
(eV)

-618.31219

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.03074
b
0.01793
c
0.01152

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

77.19240

0.05260

BU

Infos

# 2

109.57020

0.33990

AU

Infos

# 3

194.01550

0.00000

AG

Infos

# 4

200.29930

10.53370

BU

Infos

# 5

218.10210

0.00000

BG

Infos

# 6

253.62840

0.79170

AU

Infos

# 7

322.08650

0.00000

AG

Infos

# 8

358.73680

0.60960

AU

Infos

# 9

396.13430

0.00000

BG

Infos

# 10

399.01250

0.00000

AG

Infos

# 11

457.63010

0.66210

BU

Infos

# 12

486.83810

0.82280

BU

Infos

# 13

495.89950

0.00000

BG

Infos

# 14

502.24490

0.00000

BG

Infos

# 15

505.27950

3.14950

AU

Infos

# 16

572.64220

0.00000

AG

Infos

# 17

581.56490

0.22690

AU

Infos

# 18

592.01680

8.89670

BU

Infos

# 19

592.13190

0.00000

AG

Infos

# 20

663.74710

0.00000

BG

Infos

# 21

713.86110

9.55790

BU

Infos

# 22

749.54890

42.34440

BU

Infos

# 23

776.73870

0.00000

AG

Infos

# 24

788.57720

0.00000

AG

Infos

# 25

804.40110

0.00000

AG

Infos

# 26

805.56420

59.36810

BU

Infos

# 27

819.96730

0.00000

BG

Infos

# 28

879.35000

9.00500

BU

Infos

# 29

899.61100

2.04020

AU

Infos

# 30

909.98650

0.00000

BG

Infos

# 31

917.99820

3.10860

AU

Infos

# 32

975.68540

0.00000

AG

Infos

# 33

976.27100

2.16990

BU

Infos

# 34

1008.89360

0.00000

AG

Infos

# 35

1021.32520

2.15920

BU

Infos

# 36

1033.51110

2.20840

AU

Infos

# 37

1053.47290

0.00000

AG

Infos

# 38

1062.63680

0.00000

BG

Infos

# 39

1068.93530

1.16620

AU

Infos

# 40

1093.80910

0.00000

AG

Infos

# 41

1113.79980

8.12090

BU

Infos

# 42

1175.77630

0.00000

BG

Infos

# 43

1184.38100

6.05560

AU

Infos

# 44

1190.60090

0.63170

BU

Infos

# 45

1196.31320

0.00000

BG

Infos

# 46

1212.23930

1.42930

AU

Infos

# 47

1228.84550

0.00000

AG

Infos

# 48

1246.10860

1.88530

BU

Infos

# 49

1262.42230

0.00000

BG

Infos

# 50

1277.17980

0.00000

AG

Infos

# 51

1282.27930

12.77090

AU

Infos

# 52

1307.87340

0.00000

AG

Infos

# 53

1343.18610

5.80410

AU

Infos

# 54

1352.44660

0.00000

BG

Infos

# 55

1370.53720

0.00000

AG

Infos

# 56

1384.38260

0.00000

BG

Infos

# 57

1384.39320

2.52320

AU

Infos

# 58

1395.44990

0.12280

BU

Infos

# 59

1463.70610

9.37850

BU

Infos

# 60

1473.09790

0.00000

BG

Infos

# 61

1483.09020

0.00000

AG

Infos

# 62

1483.22410

9.86770

AU

Infos

# 63

1486.53280

29.15710

BU

Infos

# 64

1486.54190

16.18710

AU

Infos

# 65

1510.07390

0.00000

AG

Infos

# 66

1511.41640

0.00000

BG

Infos

# 67

1614.42720

6.15710

AU

Infos

# 68

1642.78250

0.00000

AG

Infos

# 69

1649.56820

0.00000

BG

Infos

# 70

1650.47030

2.44160

BU

Infos

# 71

3019.25580

39.71660

AU

Infos

# 72

3019.48230

0.00000

AG

Infos

# 73

3027.93140

0.00000

BG

Infos

# 74

3027.98850

59.01210

BU

Infos

# 75

3091.46500

87.63890

AU

Infos

# 76

3091.74940

0.00000

AG

Infos

# 77

3094.36890

0.00000

BG

Infos

# 78

3094.60580

46.48050

BU

Infos

# 79

3172.88490

2.93810

BU

Infos

# 80

3173.21720

0.00000

AG

Infos

# 81

3180.59330

35.70520

AU

Infos

# 82

3180.60260

0.00000

BG

Infos

# 83

3202.73130

53.06530

BU

Infos

# 84

3202.94750

0.00000

AG

Infos