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

Energy
(eV)

-618.34378

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
6-311G**


Rotational Constants
(cm-1)

a
0.03115
b
0.01807
c
0.01177

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

74.48620

0.06040

B3

Infos

# 2

133.94230

0.00000

A

Infos

# 3

183.50750

0.14700

B2

Infos

# 4

190.31130

7.57900

B3

Infos

# 5

225.59180

0.19440

B1

Infos

# 6

281.28920

0.00000

A

Infos

# 7

349.38390

1.16880

B2

Infos

# 8

371.56190

0.64780

B2

Infos

# 9

382.82300

0.00000

A

Infos

# 10

432.01600

1.55760

B3

Infos

# 11

436.92230

0.87810

B1

Infos

# 12

476.80630

1.67330

B3

Infos

# 13

504.07220

0.00060

B3

Infos

# 14

516.85310

0.33340

B1

Infos

# 15

544.98470

0.00000

A

Infos

# 16

550.60670

0.23630

B2

Infos

# 17

583.50840

0.04150

B2

Infos

# 18

588.64690

0.00000

A

Infos

# 19

606.85820

0.43470

B3

Infos

# 20

645.08080

8.68680

B1

Infos

# 21

733.39890

1.34280

B1

Infos

# 22

747.82230

37.94610

B3

Infos

# 23

783.18320

1.29400

B2

Infos

# 24

793.06290

34.95100

B3

Infos

# 25

800.82430

0.06520

B2

Infos

# 26

802.01250

0.00000

A

Infos

# 27

834.02330

12.94350

B3

Infos

# 28

888.06620

3.69390

B1

Infos

# 29

906.22070

0.00000

A

Infos

# 30

913.96410

2.22450

B2

Infos

# 31

914.39370

0.58760

B1

Infos

# 32

974.59380

0.06650

B2

Infos

# 33

975.19550

0.89000

B3

Infos

# 34

987.57830

0.00000

A

Infos

# 35

1010.10000

0.90680

B2

Infos

# 36

1025.17860

1.03010

B1

Infos

# 37

1050.64980

0.00000

A

Infos

# 38

1055.47090

0.67000

B2

Infos

# 39

1059.94510

0.00840

B3

Infos

# 40

1097.71220

0.00000

A

Infos

# 41

1119.15890

4.74760

B1

Infos

# 42

1182.78840

0.31730

B3

Infos

# 43

1192.12980

1.29140

B1

Infos

# 44

1194.16790

0.06980

B3

Infos

# 45

1196.69170

2.03710

B2

Infos

# 46

1212.92560

2.76050

B2

Infos

# 47

1224.57120

0.00000

A

Infos

# 48

1245.12940

0.31840

B1

Infos

# 49

1264.49070

0.00000

A

Infos

# 50

1267.30220

1.31440

B3

Infos

# 51

1272.03450

11.32560

B2

Infos

# 52

1307.51430

0.00000

A

Infos

# 53

1331.19800

0.13450

B3

Infos

# 54

1332.47930

9.30660

B2

Infos

# 55

1353.08160

0.00000

A

Infos

# 56

1368.22620

0.97980

B2

Infos

# 57

1382.13350

0.70290

B3

Infos

# 58

1383.54870

0.00750

B1

Infos

# 59

1463.33940

6.08330

B1

Infos

# 60

1476.82830

9.92260

B3

Infos

# 61

1482.95030

3.84540

B2

Infos

# 62

1483.01070

0.00000

A

Infos

# 63

1486.90580

22.43160

B2

Infos

# 64

1488.23100

20.23220

B1

Infos

# 65

1503.15230

0.00000

A

Infos

# 66

1513.95730

0.71840

B3

Infos

# 67

1607.25870

1.80090

B2

Infos

# 68

1634.68230

0.00000

A

Infos

# 69

1640.16910

0.21560

B3

Infos

# 70

1641.89650

0.90860

B1

Infos

# 71

2988.76640

33.30360

B2

Infos

# 72

2989.23600

0.00000

A

Infos

# 73

3000.10200

2.18740

B1

Infos

# 74

3000.29850

76.09370

B3

Infos

# 75

3064.75620

13.69640

B3

Infos

# 76

3064.76270

32.00120

B1

Infos

# 77

3065.15010

94.30090

B2

Infos

# 78

3065.52380

0.00000

A

Infos

# 79

3150.14570

2.90420

B1

Infos

# 80

3150.44770

0.00000

A

Infos

# 81

3157.74660

48.59450

B2

Infos

# 82

3157.80300

1.16570

B3

Infos

# 83

3178.72850

68.21460

B1

Infos

# 84

3178.97920

0.00000

A

Infos