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

Energy
(eV)

-618.31855

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.03096
b
0.01800
c
0.01171

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

76.77570

0.08580

B3

Infos

# 2

134.16200

0.00000

A

Infos

# 3

184.60920

0.30880

B2

Infos

# 4

192.88270

9.15430

B3

Infos

# 5

227.43370

0.24780

B1

Infos

# 6

282.31070

0.00000

A

Infos

# 7

348.50030

1.55430

B2

Infos

# 8

364.53020

0.99870

B2

Infos

# 9

381.62310

0.00000

A

Infos

# 10

427.60150

1.65020

B3

Infos

# 11

432.93290

0.93190

B1

Infos

# 12

474.68020

1.66870

B3

Infos

# 13

494.68050

0.00830

B3

Infos

# 14

513.41360

0.55290

B1

Infos

# 15

545.03740

0.00000

A

Infos

# 16

546.96880

0.32260

B2

Infos

# 17

583.12450

0.07610

B2

Infos

# 18

590.39620

0.00000

A

Infos

# 19

603.45050

0.42990

B3

Infos

# 20

640.42370

10.68170

B1

Infos

# 21

729.79230

1.24490

B1

Infos

# 22

746.42300

37.03680

B3

Infos

# 23

783.81520

0.75880

B2

Infos

# 24

787.23550

0.83460

B2

Infos

# 25

793.19930

48.95500

B3

Infos

# 26

795.85080

0.00000

A

Infos

# 27

833.90160

19.24370

B3

Infos

# 28

885.91870

5.81320

B1

Infos

# 29

905.96830

0.00000

A

Infos

# 30

913.68250

0.91100

B1

Infos

# 31

918.26320

4.66910

B2

Infos

# 32

976.52320

0.08520

B2

Infos

# 33

977.06340

1.88280

B3

Infos

# 34

991.51110

0.00000

A

Infos

# 35

1017.09460

0.63550

B2

Infos

# 36

1023.41880

2.03120

B1

Infos

# 37

1056.60990

0.00000

A

Infos

# 38

1063.17760

0.32340

B2

Infos

# 39

1065.05650

0.02890

B3

Infos

# 40

1089.68490

0.00000

A

Infos

# 41

1108.82580

8.34000

B1

Infos

# 42

1171.59690

0.51580

B3

Infos

# 43

1181.95650

0.28120

B3

Infos

# 44

1182.86040

1.03530

B1

Infos

# 45

1183.52000

4.46580

B2

Infos

# 46

1210.53830

4.79330

B2

Infos

# 47

1220.08300

0.00000

A

Infos

# 48

1246.56270

0.14840

B1

Infos

# 49

1264.56870

1.50470

B3

Infos

# 50

1272.08630

0.00000

A

Infos

# 51

1274.27330

11.41730

B2

Infos

# 52

1313.87420

0.00000

A

Infos

# 53

1342.50930

5.07410

B2

Infos

# 54

1354.64560

0.66940

B3

Infos

# 55

1360.68190

0.00000

A

Infos

# 56

1378.93200

1.01900

B3

Infos

# 57

1379.69080

0.58040

B2

Infos

# 58

1389.56330

0.05010

B1

Infos

# 59

1464.19460

2.90360

B1

Infos

# 60

1474.50360

12.89080

B3

Infos

# 61

1481.06550

4.41840

B2

Infos

# 62

1481.79890

0.00000

A

Infos

# 63

1487.68270

22.22520

B1

Infos

# 64

1489.20570

22.88640

B2

Infos

# 65

1512.79920

0.68910

B3

Infos

# 66

1513.20500

0.00000

A

Infos

# 67

1616.69710

5.68520

B2

Infos

# 68

1645.46210

0.00000

A

Infos

# 69

1652.02360

0.96880

B1

Infos

# 70

1652.72140

0.25110

B3

Infos

# 71

3023.79770

41.67860

B2

Infos

# 72

3024.02970

0.00000

A

Infos

# 73

3032.38970

3.08720

B1

Infos

# 74

3032.48520

57.51660

B3

Infos

# 75

3097.04830

84.20020

B2

Infos

# 76

3097.29650

0.00000

A

Infos

# 77

3098.87440

28.98330

B1

Infos

# 78

3098.90550

14.83400

B3

Infos

# 79

3173.59980

1.99600

B1

Infos

# 80

3173.91840

0.00000

A

Infos

# 81

3181.76690

33.68110

B2

Infos

# 82

3181.77410

0.79880

B3

Infos

# 83

3202.41880

54.16090

B1

Infos

# 84

3202.63760

0.00000

A

Infos