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

Energy
(eV)

-998.87921

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.01831
b
0.00469
c
0.00373

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

-1132.65840

1158.38380

B2U

Infos

# 2

39.58390

0.00000

AU

Infos

# 3

43.50070

2.01620

B3U

Infos

# 4

93.31390

0.00000

B2G

Infos

# 5

164.52700

0.00000

B1G

Infos

# 6

187.71670

0.00000

AU

Infos

# 7

190.52520

9.30070

B3U

Infos

# 8

201.15290

1.36730

B2U

Infos

# 9

210.55980

0.00000

B2G

Infos

# 10

214.49640

9.64870

B3U

Infos

# 11

281.69380

0.00000

AG

Infos

# 12

315.84890

0.00000

B2G

Infos

# 13

320.59450

0.00000

B1G

Infos

# 14

335.47640

0.00000

B3G

Infos

# 15

377.35750

0.00000

AU

Infos

# 16

438.79560

127.16560

B1U

Infos

# 17

448.37150

0.00000

B3G

Infos

# 18

452.65670

1.81310

B2U

Infos

# 19

462.94330

0.18930

B3U

Infos

# 20

469.50510

0.00000

AG

Infos

# 21

480.35330

4.31990

B3U

Infos

# 22

484.11240

0.00000

B2G

Infos

# 23

492.00500

0.00000

B1G

Infos

# 24

501.98890

0.00000

B3G

Infos

# 25

508.26890

0.00000

B2G

Infos

# 26

541.02700

4.82420

B2U

Infos

# 27

547.27470

20.18570

B1U

Infos

# 28

561.00390

0.00000

AG

Infos

# 29

569.92330

0.00000

AU

Infos

# 30

589.62170

0.00000

B3G

Infos

# 31

670.21430

0.00000

B1G

Infos

# 32

674.04820

14.19710

B3U

Infos

# 33

677.05230

9.89840

B1U

Infos

# 34

687.70220

0.14040

B2U

Infos

# 35

696.53220

0.00000

AG

Infos

# 36

723.72720

0.00000

AU

Infos

# 37

737.15850

0.00000

B2G

Infos

# 38

770.96960

70.41930

B1U

Infos

# 39

788.70480

30.79320

B3U

Infos

# 40

790.49330

0.00000

B2G

Infos

# 41

805.36000

11.09060

B3U

Infos

# 42

809.49490

0.00000

AG

Infos

# 43

828.62680

33.69090

B1U

Infos

# 44

840.61710

0.00000

B1G

Infos

# 45

840.98070

0.00000

B3G

Infos

# 46

859.45320

0.00000

AU

Infos

# 47

861.91040

0.00000

B2G

Infos

# 48

880.58120

169.60100

B3U

Infos

# 49

913.74860

0.00000

AG

Infos

# 50

949.71630

0.00000

AU

Infos

# 51

951.33020

0.00000

B2G

Infos

# 52

952.83790

0.00000

B1G

Infos

# 53

997.32400

0.00000

B2G

Infos

# 54

1002.46460

0.00000

AU

Infos

# 55

1003.11590

0.00010

B3U

Infos

# 56

1011.37100

0.00000

B1G

Infos

# 57

1019.22650

0.00000

B2G

Infos

# 58

1019.62330

0.61510

B2U

Infos

# 59

1020.88160

4.23620

B3U

Infos

# 60

1049.83180

351.96970

B1U

Infos

# 61

1063.11570

0.00000

B3G

Infos

# 62

1084.90470

0.00000

AG

Infos

# 63

1095.92580

115.95870

B1U

Infos

# 64

1146.08300

12.21090

B2U

Infos

# 65

1155.81490

0.00000

B3G

Infos

# 66

1182.17990

0.00000

AG

Infos

# 67

1184.16360

4.97190

B1U

Infos

# 68

1193.57700

0.00000

B3G

Infos

# 69

1209.83390

0.00000

B3G

Infos

# 70

1215.52890

0.02100

B2U

Infos

# 71

1259.04220

15.96860

B2U

Infos

# 72

1262.20930

18.83680

B1U

Infos

# 73

1263.65550

0.00000

B3G

Infos

# 74

1265.42540

6.73700

B2U

Infos

# 75

1283.15920

0.00000

AG

Infos

# 76

1295.34010

0.00000

AG

Infos

# 77

1364.92310

0.00000

AG

Infos

# 78

1368.18000

43.14940

B1U

Infos

# 79

1379.87700

34.91830

B2U

Infos

# 80

1392.00290

0.91110

B2U

Infos

# 81

1411.64790

0.00000

B3G

Infos

# 82

1416.55260

22.01170

B1U

Infos

# 83

1444.08080

0.00000

B3G

Infos

# 84

1446.19460

0.00000

AG

Infos

# 85

1450.83880

7.45640

B1U

Infos

# 86

1462.24490

23.05840

B2U

Infos

# 87

1467.23130

0.00000

B3G

Infos

# 88

1471.56740

0.00000

AG

Infos

# 89

1483.95250

1609.68280

B1U

Infos

# 90

1503.90650

58.84380

B1U

Infos

# 91

1505.69590

65.12530

B2U

Infos

# 92

1507.86400

0.00000

B3G

Infos

# 93

1523.31340

0.02170

B2U

Infos

# 94

1530.88500

0.00000

AG

Infos

# 95

1571.57130

32.97060

B2U

Infos

# 96

1578.48480

0.00000

B3G

Infos

# 97

1585.57750

0.00000

AG

Infos

# 98

1603.75680

111.47670

B1U

Infos

# 99

1621.37950

0.00000

B3G

Infos

# 100

1659.35750

0.00000

AG

Infos

# 101

3214.17010

0.17500

B1U

Infos

# 102

3214.37500

0.00000

AG

Infos

# 103

3216.79430

0.00000

B3G

Infos

# 104

3217.23110

0.48350

B1U

Infos

# 105

3217.27160

0.27970

B2U

Infos

# 106

3218.49300

0.00000

AG

Infos

# 107

3219.51700

0.00000

B3G

Infos

# 108

3219.67930

5.75230

B2U

Infos

# 109

3231.48370

9.47570

B1U

Infos

# 110

3231.52170

0.00000

AG

Infos

# 111

3248.12150

0.00000

B3G

Infos

# 112

3248.46790

0.86570

B1U

Infos

# 113

3268.48530

0.27280

B2U

Infos

# 114

3268.94080

0.00000

AG

Infos