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Anthracene++ (C14H10++)
Electronic States :

Energy
(eV)

-538.96255

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.07132
b
0.01495
c
0.01236

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

83.35890

2.54680

B3U

Infos

# 2

119.60000

0.00000

AU

Infos

# 3

203.86150

0.00000

B1G

Infos

# 4

235.82420

0.03420

B1U

Infos

# 5

264.59960

0.00000

B2G

Infos

# 6

373.15930

4.43910

B3U

Infos

# 7

376.09240

0.00000

B3G

Infos

# 8

390.89460

0.00000

AG

Infos

# 9

426.69990

0.00000

B1G

Infos

# 10

430.12860

41.41600

B3U

Infos

# 11

437.61300

0.00000

AU

Infos

# 12

480.70510

0.00000

B3G

Infos

# 13

519.69210

0.00000

B2G

Infos

# 14

594.49930

11.94210

B2U

Infos

# 15

611.28270

0.00000

AG

Infos

# 16

670.20650

1.08180

B1U

Infos

# 17

710.37520

0.00000

AU

Infos

# 18

763.96920

0.00000

AG

Infos

# 19

767.94880

0.00000

B2G

Infos

# 20

772.57050

0.00000

B1G

Infos

# 21

780.95280

99.18100

B3U

Infos

# 22

837.29950

13.11520

B2U

Infos

# 23

888.28930

0.00000

B2G

Infos

# 24

906.67850

0.29320

B1U

Infos

# 25

913.74420

0.00000

B3G

Infos

# 26

928.53890

0.00000

AU

Infos

# 27

973.10140

11.00070

B3U

Infos

# 28

1001.82600

0.00000

B2G

Infos

# 29

1008.28180

0.00000

B1G

Infos

# 30

1022.31770

8.71970

B3U

Infos

# 31

1036.50180

0.00000

AU

Infos

# 32

1039.69710

0.00000

B2G

Infos

# 33

1047.27740

0.00000

AG

Infos

# 34

1048.66540

48.48680

B2U

Infos

# 35

1079.43630

0.00000

B3G

Infos

# 36

1128.21590

16.55040

B1U

Infos

# 37

1194.26190

0.00000

B3G

Infos

# 38

1200.85320

28.65000

B2U

Infos

# 39

1210.66480

0.00000

AG

Infos

# 40

1235.11640

299.51090

B2U

Infos

# 41

1290.22920

0.00000

AG

Infos

# 42

1309.95550

0.00000

B3G

Infos

# 43

1310.22890

28.04580

B1U

Infos

# 44

1319.15090

6.81960

B1U

Infos

# 45

1398.87930

261.30320

B2U

Infos

# 46

1425.00010

0.00000

B3G

Infos

# 47

1447.18090

0.00000

AG

Infos

# 48

1462.25160

108.40570

B1U

Infos

# 49

1464.87310

0.00000

B3G

Infos

# 50

1488.26290

4.31180

B2U

Infos

# 51

1522.02140

370.96490

B2U

Infos

# 52

1532.19450

0.00000

B3G

Infos

# 53

1551.40110

0.00000

AG

Infos

# 54

1606.28260

118.80820

B1U

Infos

# 55

1607.22810

274.63280

B2U

Infos

# 56

1621.40600

0.00000

AG

Infos

# 57

3198.13670

8.53930

B1U

Infos

# 58

3199.39540

0.00000

AG

Infos

# 59

3209.97430

0.00000

B3G

Infos

# 60

3210.15370

17.55990

B1U

Infos

# 61

3211.46520

0.69130

B2U

Infos

# 62

3212.11270

0.00000

AG

Infos

# 63

3224.70000

0.00000

B3G

Infos

# 64

3224.87620

22.30160

B1U

Infos

# 65

3233.91830

57.37610

B2U

Infos

# 66

3234.05080

0.00000

AG

Infos