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Dibenzo[cd,lm]perylene (C26H14)
Electronic States :

Energy
(eV)

-999.51219

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01851
b
0.00467
c
0.00373

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

45.95960

0.32690

B3U

Infos

# 2

51.45680

0.00000

AU

Infos

# 3

102.48770

0.00000

B2G

Infos

# 4

175.98020

0.00000

B1G

Infos

# 5

184.37210

0.71040

B2U

Infos

# 6

194.47760

7.18390

B3U

Infos

# 7

202.05980

0.00000

AU

Infos

# 8

224.67000

0.00000

B2G

Infos

# 9

234.82170

6.40630

B3U

Infos

# 10

281.26500

0.00000

AG

Infos

# 11

324.85570

0.00000

B1G

Infos

# 12

342.38040

0.00000

B3G

Infos

# 13

344.66340

0.00000

B2G

Infos

# 14

396.93780

0.00000

AU

Infos

# 15

449.81440

0.00000

B3G

Infos

# 16

452.57370

1.08170

B2U

Infos

# 17

476.08540

0.16200

B1U

Infos

# 18

479.38090

0.00000

AG

Infos

# 19

499.07390

0.00000

B1G

Infos

# 20

509.21180

0.00000

B3G

Infos

# 21

509.65260

1.49990

B3U

Infos

# 22

518.48710

0.33270

B2U

Infos

# 23

525.94030

2.31080

B3U

Infos

# 24

531.10120

0.00000

B2G

Infos

# 25

555.16630

8.89580

B1U

Infos

# 26

567.68830

0.00000

AG

Infos

# 27

568.96970

0.00000

B2G

Infos

# 28

579.69230

0.00000

AU

Infos

# 29

595.03400

0.00000

B3G

Infos

# 30

681.24920

1.41910

B1U

Infos

# 31

682.42610

0.00000

B1G

Infos

# 32

691.92610

1.78850

B2U

Infos

# 33

696.99490

32.79970

B3U

Infos

# 34

706.37760

0.00000

AG

Infos

# 35

737.10360

0.00000

AU

Infos

# 36

748.29600

0.00000

B2G

Infos

# 37

771.23740

13.60710

B3U

Infos

# 38

773.21030

0.00000

B2G

Infos

# 39

795.23110

28.78140

B1U

Infos

# 40

825.86900

0.00000

B1G

Infos

# 41

828.28450

0.00000

AG

Infos

# 42

834.29480

116.55070

B3U

Infos

# 43

839.45890

6.07370

B1U

Infos

# 44

842.93700

0.00000

AU

Infos

# 45

844.24470

0.00000

B3G

Infos

# 46

875.18210

0.00000

B2G

Infos

# 47

880.37000

100.81830

B3U

Infos

# 48

914.18120

0.00000

AU

Infos

# 49

915.72460

0.00000

B1G

Infos

# 50

924.12990

0.00000

AG

Infos

# 51

957.25530

0.01010

B2U

Infos

# 52

969.11530

0.00000

B2G

Infos

# 53

980.13320

0.00000

AU

Infos

# 54

980.19690

0.41430

B3U

Infos

# 55

987.86220

0.00000

B2G

Infos

# 56

988.78680

0.00000

B1G

Infos

# 57

992.18990

3.32590

B3U

Infos

# 58

1057.91400

0.00000

B2G

Infos

# 59

1072.33850

14.27420

B1U

Infos

# 60

1073.33600

0.00000

B3G

Infos

# 61

1098.16250

0.00000

AG

Infos

# 62

1127.51010

0.39210

B2U

Infos

# 63

1129.34440

1.37460

B1U

Infos

# 64

1153.35950

0.00000

B3G

Infos

# 65

1179.16760

0.00000

AG

Infos

# 66

1180.67110

1.68150

B1U

Infos

# 67

1185.66080

0.00000

B3G

Infos

# 68

1186.71740

0.37500

B2U

Infos

# 69

1209.42500

0.00000

B3G

Infos

# 70

1210.83830

20.03880

B2U

Infos

# 71

1253.75110

0.00000

B3G

Infos

# 72

1254.61720

5.25180

B2U

Infos

# 73

1271.37100

5.38770

B1U

Infos

# 74

1276.55330

0.00000

AG

Infos

# 75

1295.41090

0.00000

AG

Infos

# 76

1343.82360

11.91750

B2U

Infos

# 77

1345.90290

0.00000

AG

Infos

# 78

1359.56250

3.10730

B1U

Infos

# 79

1388.21920

5.80480

B2U

Infos

# 80

1404.47450

0.00000

B3G

Infos

# 81

1419.14270

1.37210

B1U

Infos

# 82

1425.86100

1.27740

B2U

Infos

# 83

1437.58320

0.00000

B3G

Infos

# 84

1447.09860

0.00000

AG

Infos

# 85

1451.47050

14.99040

B1U

Infos

# 86

1458.30940

7.63150

B2U

Infos

# 87

1474.50600

0.00000

B3G

Infos

# 88

1498.61070

0.00000

AG

Infos

# 89

1516.97410

0.28100

B1U

Infos

# 90

1524.16760

0.00000

B3G

Infos

# 91

1531.00850

0.67670

B2U

Infos

# 92

1550.63310

0.00000

AG

Infos

# 93

1580.03940

0.05120

B2U

Infos

# 94

1621.59020

19.28550

B1U

Infos

# 95

1632.46200

0.00000

B3G

Infos

# 96

1632.77890

0.00000

AG

Infos

# 97

1651.11380

3.66240

B2U

Infos

# 98

1651.51830

0.00000

B3G

Infos

# 99

1662.28960

0.00000

AG

Infos

# 100

1681.30350

1.34740

B1U

Infos

# 101

3182.66120

2.21610

B1U

Infos

# 102

3182.81030

0.00000

AG

Infos

# 103

3187.27190

0.00000

B3G

Infos

# 104

3188.03880

0.17450

B1U

Infos

# 105

3188.49250

4.65220

B2U

Infos

# 106

3190.00550

0.00000

AG

Infos

# 107

3192.35790

0.00000

B3G

Infos

# 108

3192.78880

42.42220

B2U

Infos

# 109

3208.27910

69.53110

B1U

Infos

# 110

3208.46520

0.00000

AG

Infos

# 111

3221.41710

0.00000

B3G

Infos

# 112

3221.80800

5.03930

B1U

Infos

# 113

3241.73700

42.02530

B2U

Infos

# 114

3242.51860

0.00000

AG

Infos