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Coronene- (C24H12-)
Electronic States :

Energy
(eV)

-922.11184

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01107
b
0.01098
c
0.00551

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

86.43800

0.00000

AU

Infos

# 2

90.05790

0.09630

AU

Infos

# 3

133.30570

5.20760

AU

Infos

# 4

140.53700

0.00000

AG

Infos

# 5

156.50630

0.00000

BG

Infos

# 6

231.00350

0.00000

BG

Infos

# 7

278.71480

0.00000

BG

Infos

# 8

282.24190

0.09560

AU

Infos

# 9

299.30670

0.00000

BG

Infos

# 10

309.16210

0.00000

AU

Infos

# 11

364.82700

0.00000

AG

Infos

# 12

373.95410

34.27120

BU

Infos

# 13

380.90260

8.54510

BU

Infos

# 14

415.69100

0.00000

AG

Infos

# 15

427.11150

0.00000

BG

Infos

# 16

460.45410

0.00000

BG

Infos

# 17

470.04200

5.82960

BU

Infos

# 18

485.32790

0.00000

AG

Infos

# 19

486.17620

0.00000

AG

Infos

# 20

509.67400

0.00000

AU

Infos

# 21

529.95350

3.19200

AU

Infos

# 22

543.36520

0.00000

AU

Infos

# 23

547.78490

1.89000

BU

Infos

# 24

561.02080

38.72930

AU

Infos

# 25

572.13920

0.00000

AG

Infos

# 26

595.61780

0.00000

BG

Infos

# 27

628.03970

0.00000

AG

Infos

# 28

655.40440

0.00000

BG

Infos

# 29

672.98020

8.71580

BU

Infos

# 30

677.28540

0.00000

BG

Infos

# 31

686.23980

0.00000

AG

Infos

# 32

688.30520

0.00000

AG

Infos

# 33

739.04970

0.00000

BG

Infos

# 34

740.23220

0.93310

AU

Infos

# 35

751.07050

0.00000

AU

Infos

# 36

760.17410

10.55200

BU

Infos

# 37

769.20470

4.99390

BU

Infos

# 38

789.49460

9.21960

AU

Infos

# 39

790.59680

0.00000

BG

Infos

# 40

799.90200

28.71830

BU

Infos

# 41

806.27140

0.00000

BG

Infos

# 42

810.90480

0.00000

AU

Infos

# 43

813.54330

14.32280

BU

Infos

# 44

823.54520

0.00000

BG

Infos

# 45

832.84660

220.59160

AU

Infos

# 46

882.81760

0.00000

AU

Infos

# 47

884.41620

0.00000

BG

Infos

# 48

922.05810

0.00000

AG

Infos

# 49

922.41230

0.00000

BG

Infos

# 50

924.10060

0.00000

AU

Infos

# 51

944.21030

4.34280

AU

Infos

# 52

944.57820

0.00000

BG

Infos

# 53

995.38470

0.00000

AG

Infos

# 54

1008.70540

0.00000

AG

Infos

# 55

1041.57770

0.00000

AG

Infos

# 56

1124.31880

110.52450

BU

Infos

# 57

1137.98580

0.04980

BU

Infos

# 58

1142.65300

4.35310

BU

Infos

# 59

1152.02130

0.00000

AG

Infos

# 60

1173.12470

5.37160

BU

Infos

# 61

1192.39610

0.00000

AG

Infos

# 62

1213.89510

22.62470

BU

Infos

# 63

1223.05670

0.00000

AG

Infos

# 64

1228.91540

21.99890

BU

Infos

# 65

1240.20740

0.00000

AG

Infos

# 66

1249.40030

100.16810

BU

Infos

# 67

1252.02370

0.00000

AG

Infos

# 68

1310.99310

0.00000

AG

Infos

# 69

1324.29720

21.90900

BU

Infos

# 70

1324.41190

113.87250

BU

Infos

# 71

1352.70940

261.70250

BU

Infos

# 72

1384.93050

0.00000

AG

Infos

# 73

1390.73750

0.01550

BU

Infos

# 74

1409.43790

117.88730

BU

Infos

# 75

1419.60300

0.00000

AG

Infos

# 76

1422.58880

0.00000

AG

Infos

# 77

1427.59340

17.79590

BU

Infos

# 78

1452.86150

0.00000

AG

Infos

# 79

1461.41270

0.00000

AG

Infos

# 80

1477.75020

24.50600

BU

Infos

# 81

1479.26200

0.00000

AG

Infos

# 82

1510.59100

0.00000

AG

Infos

# 83

1511.52270

188.89330

BU

Infos

# 84

1520.27840

17.05420

BU

Infos

# 85

1562.34050

2.87810

BU

Infos

# 86

1572.63520

0.00000

AG

Infos

# 87

1610.20600

181.04580

BU

Infos

# 88

1613.28230

0.00000

AG

Infos

# 89

1616.31590

91.84640

BU

Infos

# 90

1642.14200

0.00000

AG

Infos

# 91

3144.32940

0.00000

AG

Infos

# 92

3144.84290

0.78400

BU

Infos

# 93

3147.94480

90.07270

BU

Infos

# 94

3148.85340

0.00000

AG

Infos

# 95

3151.65240

0.00000

AG

Infos

# 96

3153.03820

8.62030

BU

Infos

# 97

3170.46710

1.21310

BU

Infos

# 98

3171.49000

0.00000

AG

Infos

# 99

3171.76600

0.00000

AG

Infos

# 100

3174.27660

182.23360

BU

Infos

# 101

3175.90270

167.96700

BU

Infos

# 102

3177.91090

0.00000

AG

Infos