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Dihydro(4,5)pyrene (C16H12)
Electronic States :

Energy
(eV)

-617.11124

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.03213
b
0.01821
c
0.01176

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

90.06380

0.22650

B

Infos

# 2

137.22400

0.06420

A

Infos

# 3

205.36550

10.33790

B

Infos

# 4

219.14350

0.07640

A

Infos

# 5

239.73510

0.13210

B

Infos

# 6

315.29000

0.50320

A

Infos

# 7

357.42270

1.05810

A

Infos

# 8

395.89520

0.00890

A

Infos

# 9

424.34000

1.76920

B

Infos

# 10

450.23780

0.68050

A

Infos

# 11

481.73890

0.49860

B

Infos

# 12

492.68610

0.63710

B

Infos

# 13

503.52140

1.70590

B

Infos

# 14

520.71530

1.17900

B

Infos

# 15

548.29690

1.25070

A

Infos

# 16

582.83740

0.00360

A

Infos

# 17

593.05780

0.00230

A

Infos

# 18

629.56340

2.03740

B

Infos

# 19

638.48300

0.23520

A

Infos

# 20

708.61110

1.76360

B

Infos

# 21

742.68010

39.97700

B

Infos

# 22

769.72260

19.82980

B

Infos

# 23

783.33450

6.04010

B

Infos

# 24

787.45330

0.41940

A

Infos

# 25

801.21110

0.86510

A

Infos

# 26

837.76040

0.03090

A

Infos

# 27

858.23280

71.75280

B

Infos

# 28

870.76410

17.22200

B

Infos

# 29

908.24560

0.20980

A

Infos

# 30

918.06670

3.24600

B

Infos

# 31

947.65410

1.99930

A

Infos

# 32

976.46390

0.08270

A

Infos

# 33

981.67020

2.69940

B

Infos

# 34

991.83180

0.01200

A

Infos

# 35

1016.88790

0.58880

A

Infos

# 36

1017.58050

1.67130

B

Infos

# 37

1060.69090

0.65860

A

Infos

# 38

1087.85170

0.46700

A

Infos

# 39

1096.06730

0.73850

B

Infos

# 40

1107.10820

10.17100

B

Infos

# 41

1171.00160

0.02240

A

Infos

# 42

1181.68670

1.04630

B

Infos

# 43

1190.86030

6.82740

A

Infos

# 44

1191.09710

0.30500

B

Infos

# 45

1214.05700

3.94690

A

Infos

# 46

1249.87870

2.32460

A

Infos

# 47

1256.60520

0.46410

B

Infos

# 48

1267.68130

6.18310

A

Infos

# 49

1267.96240

0.83330

B

Infos

# 50

1340.09650

5.37290

A

Infos

# 51

1348.58960

3.90340

A

Infos

# 52

1379.67300

0.51970

B

Infos

# 53

1398.45520

0.07480

A

Infos

# 54

1404.37850

0.44520

B

Infos

# 55

1451.42380

0.65530

A

Infos

# 56

1452.11370

0.42020

B

Infos

# 57

1465.69620

5.60620

B

Infos

# 58

1479.87700

7.08190

A

Infos

# 59

1482.14160

6.92310

A

Infos

# 60

1482.25380

12.12090

B

Infos

# 61

1534.25570

1.09390

B

Infos

# 62

1565.93000

2.03520

A

Infos

# 63

1638.27430

2.85990

B

Infos

# 64

1641.47760

0.72590

A

Infos

# 65

1658.54250

4.09580

B

Infos

# 66

1668.45120

0.12610

A

Infos

# 67

3023.56880

18.92680

A

Infos

# 68

3032.40110

28.03960

B

Infos

# 69

3097.41800

42.06970

A

Infos

# 70

3099.54340

20.00890

B

Infos

# 71

3176.44210

0.18460

B

Infos

# 72

3176.91900

4.99480

A

Infos

# 73

3178.43700

0.66140

B

Infos

# 74

3186.15020

19.49480

A

Infos

# 75

3186.39700

0.16450

B

Infos

# 76

3198.09270

24.46670

A

Infos

# 77

3204.99600

53.62410

B

Infos

# 78

3205.50810

2.15820

A

Infos