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Perylene- (C20H12-)
Electronic States :

Energy
(eV)

-769.60406

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02049
b
0.01103
c
0.00717

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

39.29440

0.00000

AU

Infos

# 2

96.67970

0.31130

B3U

Infos

# 3

147.98700

0.00000

B2G

Infos

# 4

186.89950

6.52940

B3U

Infos

# 5

198.42820

0.00000

B1G

Infos

# 6

224.40190

0.00000

AU

Infos

# 7

253.42400

1.77650

B2U

Infos

# 8

298.63890

0.00000

B2G

Infos

# 9

354.69380

0.00000

AG

Infos

# 10

362.77290

0.00000

B3G

Infos

# 11

399.30850

0.00000

B1G

Infos

# 12

432.44240

0.00000

AG

Infos

# 13

461.17000

22.87160

B1U

Infos

# 14

503.31110

3.39730

B3U

Infos

# 15

504.64670

0.00000

B2G

Infos

# 16

524.46990

0.00000

AU

Infos

# 17

532.23600

1.11000

B2U

Infos

# 18

536.59240

0.00000

B3G

Infos

# 19

553.36810

0.00000

AG

Infos

# 20

560.59760

6.82130

B3U

Infos

# 21

571.77190

0.24930

B1U

Infos

# 22

625.39850

0.00000

B3G

Infos

# 23

626.13990

0.00000

B1G

Infos

# 24

642.49740

0.00000

AU

Infos

# 25

675.35870

0.00000

B2G

Infos

# 26

716.96850

0.00000

B1G

Infos

# 27

720.93300

0.00000

B2G

Infos

# 28

739.04830

0.00000

AU

Infos

# 29

751.38380

219.42430

B3U

Infos

# 30

770.52910

2.41230

B2U

Infos

# 31

793.24920

0.29730

B1U

Infos

# 32

796.92510

0.00000

AU

Infos

# 33

799.95890

0.00000

AG

Infos

# 34

804.89860

0.00000

B1G

Infos

# 35

811.32930

26.02360

B3U

Infos

# 36

813.79870

22.36820

B1U

Infos

# 37

836.20400

0.00000

B2G

Infos

# 38

851.13290

36.81930

B3U

Infos

# 39

924.71880

0.00000

AU

Infos

# 40

928.74130

0.00000

B2G

Infos

# 41

929.98670

0.00000

B1G

Infos

# 42

936.51230

0.86260

B3U

Infos

# 43

944.52720

0.00000

B3G

Infos

# 44

995.58710

0.00000

AG

Infos

# 45

1007.09200

0.00000

B2G

Infos

# 46

1041.39180

92.56670

B2U

Infos

# 47

1077.82530

0.00000

B3G

Infos

# 48

1103.82530

12.67700

B1U

Infos

# 49

1118.74310

0.00000

AG

Infos

# 50

1124.93160

1.40460

B2U

Infos

# 51

1147.73680

0.00000

B3G

Infos

# 52

1151.44720

46.12240

B1U

Infos

# 53

1188.33310

0.00000

B3G

Infos

# 54

1199.66960

0.19670

B2U

Infos

# 55

1201.03910

0.00000

AG

Infos

# 56

1228.73400

2.57010

B1U

Infos

# 57

1230.60740

3.11760

B2U

Infos

# 58

1242.20600

0.00000

B3G

Infos

# 59

1310.14000

0.00000

AG

Infos

# 60

1314.50660

145.47040

B2U

Infos

# 61

1355.98330

145.71450

B1U

Infos

# 62

1376.94910

39.64130

B2U

Infos

# 63

1386.21520

0.00000

AG

Infos

# 64

1388.71560

44.30760

B1U

Infos

# 65

1393.41330

0.00000

B3G

Infos

# 66

1402.80730

0.00000

AG

Infos

# 67

1450.30230

4.92330

B2U

Infos

# 68

1452.59910

0.61370

B1U

Infos

# 69

1459.52340

0.00000

B3G

Infos

# 70

1482.66130

0.00000

AG

Infos

# 71

1510.00510

2.49370

B2U

Infos

# 72

1565.99270

0.00000

B3G

Infos

# 73

1582.98440

0.00000

AG

Infos

# 74

1583.24900

204.62620

B2U

Infos

# 75

1583.65910

0.45900

B1U

Infos

# 76

1598.46040

0.00000

B3G

Infos

# 77

1615.77270

198.06240

B1U

Infos

# 78

1616.79930

0.00000

AG

Infos

# 79

3147.19960

0.00000

B3G

Infos

# 80

3147.75340

92.60200

B2U

Infos

# 81

3148.56170

19.15430

B1U

Infos

# 82

3149.81900

0.00000

AG

Infos

# 83

3170.71060

0.00000

B3G

Infos

# 84

3171.56570

40.39820

B2U

Infos

# 85

3175.29900

190.61210

B1U

Infos

# 86

3176.79640

0.00000

AG

Infos

# 87

3200.87410

0.00000

B3G

Infos

# 88

3201.19600

6.70380

B1U

Infos

# 89

3221.69430

69.36020

B2U

Infos

# 90

3223.39490

0.00000

AG

Infos