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Anthracene- (C14H10-)
Electronic States :

Energy
(eV)

-539.65881

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.07165
b
0.01473
c
0.01222

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

92.80560

1.48830

B3U

Infos

# 2

116.72970

0.00000

AU

Infos

# 3

233.21500

2.66490

B1U

Infos

# 4

251.80140

0.00000

B1G

Infos

# 5

258.61050

0.00000

B2G

Infos

# 6

336.42200

0.18590

B3U

Infos

# 7

387.79220

0.00000

B3G

Infos

# 8

393.28300

0.00000

AG

Infos

# 9

472.09180

0.00000

B1G

Infos

# 10

473.99520

19.78620

B3U

Infos

# 11

532.35370

0.00000

B3G

Infos

# 12

547.35980

0.00000

AU

Infos

# 13

587.58420

0.00000

B2G

Infos

# 14

607.97670

2.70950

B2U

Infos

# 15

620.08630

0.00000

AG

Infos

# 16

656.70110

1.58280

B1U

Infos

# 17

688.71110

99.98570

B3U

Infos

# 18

715.13040

0.00000

B1G

Infos

# 19

738.55870

0.00000

AU

Infos

# 20

746.18760

0.00000

B2G

Infos

# 21

752.03920

0.00000

AG

Infos

# 22

771.57870

0.00000

B2G

Infos

# 23

788.71300

104.40820

B3U

Infos

# 24

817.48470

0.00000

AU

Infos

# 25

819.66840

80.96340

B2U

Infos

# 26

856.87800

0.00000

B1G

Infos

# 27

865.42990

42.43400

B3U

Infos

# 28

882.19920

0.00000

B2G

Infos

# 29

897.20160

0.08300

B1U

Infos

# 30

899.21420

0.00000

AU

Infos

# 31

900.66060

0.00000

B2G

Infos

# 32

900.83450

0.00000

B3G

Infos

# 33

1040.45950

55.46630

B2U

Infos

# 34

1040.57150

0.00000

AG

Infos

# 35

1093.78850

0.00000

B3G

Infos

# 36

1129.44100

27.39230

B1U

Infos

# 37

1151.36050

5.13830

B2U

Infos

# 38

1162.84570

0.00000

AG

Infos

# 39

1173.95370

0.00000

B3G

Infos

# 40

1200.78360

62.55230

B2U

Infos

# 41

1264.90560

0.00000

AG

Infos

# 42

1278.42990

0.00000

B3G

Infos

# 43

1282.50520

2.47310

B1U

Infos

# 44

1295.05110

3.20030

B1U

Infos

# 45

1385.23550

311.69930

B2U

Infos

# 46

1390.65740

0.00000

B3G

Infos

# 47

1414.47630

0.00000

AG

Infos

# 48

1433.40320

248.25910

B2U

Infos

# 49

1453.05690

0.81360

B1U

Infos

# 50

1465.71280

1.73700

B2U

Infos

# 51

1509.11370

0.00000

B3G

Infos

# 52

1512.54200

0.00000

AG

Infos

# 53

1556.05430

231.46140

B2U

Infos

# 54

1560.34840

0.00000

B3G

Infos

# 55

1588.80360

0.00000

AG

Infos

# 56

1602.42790

7.61120

B1U

Infos

# 57

3136.05960

0.54030

B1U

Infos

# 58

3136.26410

0.00000

B3G

Infos

# 59

3141.61540

0.00000

AG

Infos

# 60

3144.53210

25.32430

B2U

Infos

# 61

3144.90430

29.23970

B1U

Infos

# 62

3150.46270

0.00000

AG

Infos

# 63

3157.98850

0.00000

B3G

Infos

# 64

3159.10910

183.67360

B1U

Infos

# 65

3175.90180

164.48840

B2U

Infos

# 66

3177.22180

0.00000

AG

Infos