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Perylene (C20H12)
Electronic States :

Energy
(eV)

-769.57467

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.02073
b
0.01100
c
0.00719

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

32.85480

0.00000

AU

Infos

# 2

98.94290

1.01940

B3U

Infos

# 3

137.87950

0.00000

B2G

Infos

# 4

183.04260

7.17740

B3U

Infos

# 5

210.19040

0.00000

B1G

Infos

# 6

242.15160

0.00000

AU

Infos

# 7

253.29800

0.13640

B2U

Infos

# 8

300.80370

0.00000

B2G

Infos

# 9

355.71860

0.00000

AG

Infos

# 10

363.42590

0.00000

B3G

Infos

# 11

431.41950

0.00000

B1G

Infos

# 12

431.66870

0.00000

AG

Infos

# 13

463.07240

0.00000

B2G

Infos

# 14

466.60060

2.76620

B1U

Infos

# 15

483.35070

0.07250

B3U

Infos

# 16

537.46150

0.76030

B2U

Infos

# 17

537.69800

0.00000

B3G

Infos

# 18

545.23320

0.00000

AU

Infos

# 19

557.07940

0.00000

AG

Infos

# 20

561.59690

12.10480

B3U

Infos

# 21

585.40770

3.79990

B1U

Infos

# 22

630.39900

0.00000

B3G

Infos

# 23

645.25380

0.00000

B1G

Infos

# 24

667.61130

0.00000

AU

Infos

# 25

683.75370

0.00000

B2G

Infos

# 26

767.92420

0.00000

B1G

Infos

# 27

781.11430

4.15760

B2U

Infos

# 28

784.00490

0.00000

B2G

Infos

# 29

787.29030

0.00000

AU

Infos

# 30

787.80880

109.15960

B3U

Infos

# 31

797.62460

6.41040

B1U

Infos

# 32

803.67860

0.00000

AG

Infos

# 33

827.38560

8.93490

B1U

Infos

# 34

847.16360

108.42180

B3U

Infos

# 35

896.30130

0.00000

AU

Infos

# 36

907.12120

0.00000

B1G

Infos

# 37

912.55410

0.00000

B2G

Infos

# 38

927.06690

2.00730

B3U

Infos

# 39

954.38440

0.00000

B3G

Infos

# 40

979.20990

0.00000

AU

Infos

# 41

983.40720

0.00000

B1G

Infos

# 42

986.75530

0.00000

B2G

Infos

# 43

991.51960

2.52370

B3U

Infos

# 44

998.80240

0.00000

B2G

Infos

# 45

999.67740

0.00000

AG

Infos

# 46

1067.14360

8.80370

B2U

Infos

# 47

1077.32690

0.00000

B3G

Infos

# 48

1108.82310

4.26870

B1U

Infos

# 49

1125.98130

0.00000

AG

Infos

# 50

1149.03010

8.10930

B2U

Infos

# 51

1165.71500

0.00000

B3G

Infos

# 52

1168.22770

5.42670

B1U

Infos

# 53

1211.92150

4.79460

B2U

Infos

# 54

1212.40160

0.00000

AG

Infos

# 55

1217.00420

0.00000

B3G

Infos

# 56

1241.40040

4.05110

B1U

Infos

# 57

1242.36740

0.14610

B2U

Infos

# 58

1250.19490

0.00000

B3G

Infos

# 59

1319.93690

5.24050

B2U

Infos

# 60

1325.74830

0.00000

AG

Infos

# 61

1373.13050

5.06500

B2U

Infos

# 62

1390.42070

0.00000

B3G

Infos

# 63

1400.96930

0.00000

AG

Infos

# 64

1401.85520

44.78080

B1U

Infos

# 65

1410.45240

0.10860

B1U

Infos

# 66

1420.11090

0.00000

AG

Infos

# 67

1470.21410

4.32220

B1U

Infos

# 68

1471.87460

0.00000

AG

Infos

# 69

1485.70920

0.00000

B3G

Infos

# 70

1514.18410

0.02980

B2U

Infos

# 71

1542.23950

7.55510

B2U

Infos

# 72

1563.10450

0.00000

B3G

Infos

# 73

1614.49480

0.00000

AG

Infos

# 74

1635.88750

4.69820

B1U

Infos

# 75

1636.34510

0.00000

AG

Infos

# 76

1640.51520

26.73350

B1U

Infos

# 77

1657.60160

9.76460

B2U

Infos

# 78

1672.04390

0.00000

B3G

Infos

# 79

3184.27880

0.00000

B3G

Infos

# 80

3184.89260

4.37670

B2U

Infos

# 81

3186.21530

2.09220

B1U

Infos

# 82

3187.14700

0.00000

AG

Infos

# 83

3200.71490

0.00000

B3G

Infos

# 84

3202.17630

71.94420

B1U

Infos

# 85

3203.45780

20.92140

B2U

Infos

# 86

3205.53130

0.00000

AG

Infos

# 87

3215.52020

0.00000

B3G

Infos

# 88

3215.93810

7.12360

B1U

Infos

# 89

3231.67310

33.96740

B2U

Infos

# 90

3232.65410

0.00000

AG

Infos