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Coronene (C24H12)
Electronic States :

Energy
(eV)

-922.09901

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01109
b
0.01109
c
0.00555

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

91.07240

0.00000

E2U

Infos

# 2

91.07240

0.00000

E2U

Infos

# 3

128.07280

7.51640

A2U

Infos

# 4

168.52560

0.00000

B1G

Infos

# 5

230.88590

0.00000

B2G

Infos

# 6

298.96130

0.00000

E1G

Infos

# 7

298.96130

0.00000

E1G

Infos

# 8

306.31450

0.00000

E2U

Infos

# 9

306.31450

0.00000

E2U

Infos

# 10

367.18720

0.00000

E2G

Infos

# 11

367.18720

0.00000

E2G

Infos

# 12

381.26640

3.44560

E1U

Infos

# 13

381.26640

3.44560

E1U

Infos

# 14

456.05380

0.00000

E1G

Infos

# 15

456.05380

0.00000

E1G

Infos

# 16

477.32690

0.00000

B2U

Infos

# 17

489.21190

0.00000

A1G

Infos

# 18

489.69810

0.00000

E2G

Infos

# 19

489.69810

0.00000

E2G

Infos

# 20

510.67040

0.00000

B2G

Infos

# 21

538.43130

0.00000

A1U

Infos

# 22

542.10360

0.00000

E2U

Infos

# 23

542.10360

0.00000

E2U

Infos

# 24

558.82580

0.00000

B1U

Infos

# 25

570.77820

36.58080

A2U

Infos

# 26

631.66010

0.00000

A2G

Infos

# 27

676.57710

0.00000

B1U

Infos

# 28

681.62710

0.00000

E1G

Infos

# 29

681.62710

0.00000

E1G

Infos

# 30

686.86590

0.00000

E2G

Infos

# 31

686.86590

0.00000

E2G

Infos

# 32

757.56250

0.00000

B2G

Infos

# 33

772.60480

0.00000

E2U

Infos

# 34

772.60480

0.00000

E2U

Infos

# 35

777.42390

7.35010

E1U

Infos

# 36

777.42390

7.35010

E1U

Infos

# 37

783.62670

0.00000

B1G

Infos

# 38

823.42180

0.07720

E1U

Infos

# 39

823.42180

0.07720

E1U

Infos

# 40

831.65570

0.00000

E2U

Infos

# 41

831.65570

0.00000

E2U

Infos

# 42

865.52790

0.00000

E1G

Infos

# 43

865.52790

0.00000

E1G

Infos

# 44

884.85860

203.22340

A2U

Infos

# 45

931.61150

0.00000

A2G

Infos

# 46

962.38070

0.00000

A1U

Infos

# 47

971.78700

0.00000

E1G

Infos

# 48

971.78700

0.00000

E1G

Infos

# 49

984.73240

0.00000

E2U

Infos

# 50

984.73240

0.00000

E2U

Infos

# 51

989.97100

0.00000

B2G

Infos

# 52

1011.23960

0.00000

E2G

Infos

# 53

1011.23960

0.00000

E2G

Infos

# 54

1054.75350

0.00000

A1G

Infos

# 55

1156.86770

15.60120

E1U

Infos

# 56

1156.86770

15.60120

E1U

Infos

# 57

1159.50320

0.00000

B2U

Infos

# 58

1178.47430

0.00000

E2G

Infos

# 59

1178.47430

0.00000

E2G

Infos

# 60

1182.95080

0.00000

B1U

Infos

# 61

1227.59360

0.00000

B2U

Infos

# 62

1236.96740

0.39630

E1U

Infos

# 63

1236.96740

0.39630

E1U

Infos

# 64

1248.80210

0.00000

A1G

Infos

# 65

1251.27180

0.00000

A2G

Infos

# 66

1254.89860

0.00000

E2G

Infos

# 67

1254.89860

0.00000

E2G

Infos

# 68

1335.17290

22.55300

E1U

Infos

# 69

1335.17290

22.55300

E1U

Infos

# 70

1386.84710

0.00000

B2U

Infos

# 71

1401.23010

0.00000

A1G

Infos

# 72

1435.01520

0.00000

E2G

Infos

# 73

1435.01520

0.00000

E2G

Infos

# 74

1439.37390

0.00000

B1U

Infos

# 75

1446.10640

0.67050

E1U

Infos

# 76

1446.10640

0.67050

E1U

Infos

# 77

1460.32400

0.00000

E2G

Infos

# 78

1460.32400

0.00000

E2G

Infos

# 79

1487.07910

0.00000

E2G

Infos

# 80

1487.07910

0.00000

E2G

Infos

# 81

1533.07240

0.00000

B2U

Infos

# 82

1536.29980

2.84830

E1U

Infos

# 83

1536.29980

2.84830

E1U

Infos

# 84

1580.11560

0.00000

A2G

Infos

# 85

1602.24140

0.00000

B1U

Infos

# 86

1644.52090

0.00000

A1G

Infos

# 87

1657.34770

0.00000

E2G

Infos

# 88

1657.34770

0.00000

E2G

Infos

# 89

1660.66640

7.28060

E1U

Infos

# 90

1660.66640

7.28060

E1U

Infos

# 91

3179.31220

0.00000

A2G

Infos

# 92

3180.48450

3.02790

E1U

Infos

# 93

3180.48450

3.02790

E1U

Infos

# 94

3182.12030

0.00000

E2G

Infos

# 95

3182.12030

0.00000

E2G

Infos

# 96

3182.51830

0.00000

B1U

Infos

# 97

3197.69190

0.00000

B2U

Infos

# 98

3198.55840

0.00000

E2G

Infos

# 99

3198.55840

0.00000

E2G

Infos

# 100

3200.59690

74.76620

E1U

Infos

# 101

3200.59690

74.76610

E1U

Infos

# 102

3202.18970

0.00000

A1G

Infos