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Anthracene++ (C14H10++)
Electronic States :

Energy
(eV)

-538.92636

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.06922
b
0.01509
c
0.01239

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

-519.74400

723.77970

B1U

Infos

# 2

84.49290

3.99960

B3U

Infos

# 3

103.76760

0.00000

AU

Infos

# 4

208.50350

0.00000

B1G

Infos

# 5

232.27010

0.00000

B2G

Infos

# 6

270.16160

33.49590

B1U

Infos

# 7

344.47460

0.36660

B3U

Infos

# 8

388.02190

0.00000

B3G

Infos

# 9

392.99620

0.00000

AU

Infos

# 10

393.03540

0.00000

AG

Infos

# 11

440.03630

0.00000

B2G

Infos

# 12

445.33240

30.34210

B3U

Infos

# 13

456.24860

0.00000

B1G

Infos

# 14

522.11030

0.00000

B3G

Infos

# 15

580.82760

24.55520

B2U

Infos

# 16

610.40370

0.00000

AG

Infos

# 17

731.08970

0.00000

AU

Infos

# 18

733.77660

0.00000

AG

Infos

# 19

762.80070

94.06670

B3U

Infos

# 20

775.46750

0.00000

B1G

Infos

# 21

778.23010

0.00000

B2G

Infos

# 22

798.73680

128.42430

B2U

Infos

# 23

825.10360

174.11650

B1U

Infos

# 24

853.54310

0.00000

B2G

Infos

# 25

887.44760

0.00000

AU

Infos

# 26

905.15220

0.00000

B3G

Infos

# 27

914.64910

49.23030

B1U

Infos

# 28

938.22260

27.59340

B3U

Infos

# 29

957.40090

0.00000

B2G

Infos

# 30

963.77450

307.82110

B2U

Infos

# 31

990.36650

0.00000

B1G

Infos

# 32

999.99500

22.71950

B3U

Infos

# 33

1005.39940

0.00000

AG

Infos

# 34

1011.38750

0.00000

AU

Infos

# 35

1012.81310

0.00000

B2G

Infos

# 36

1131.95920

0.00000

B3G

Infos

# 37

1176.54020

0.04510

B2U

Infos

# 38

1208.04540

0.00000

AG

Infos

# 39

1209.10120

0.00190

B2U

Infos

# 40

1209.16890

23.19110

B1U

Infos

# 41

1223.96690

0.00000

B3G

Infos

# 42

1290.04830

0.00000

B3G

Infos

# 43

1293.92740

0.00000

AG

Infos

# 44

1322.15020

1.20030

B1U

Infos

# 45

1382.07730

236.74310

B1U

Infos

# 46

1383.26360

50.90750

B2U

Infos

# 47

1416.98450

0.00000

B3G

Infos

# 48

1444.17600

0.00000

AG

Infos

# 49

1454.73640

253.31430

B2U

Infos

# 50

1466.96090

473.63630

B2U

Infos

# 51

1477.96920

0.62820

B2U

Infos

# 52

1483.12320

34.92030

B1U

Infos

# 53

1505.34170

0.00000

AG

Infos

# 54

1541.92070

0.00000

B3G

Infos

# 55

1569.03720

0.00000

AG

Infos

# 56

1664.78640

0.00000

B3G

Infos

# 57

3207.20230

9.23760

B1U

Infos

# 58

3208.93980

0.00000

AG

Infos

# 59

3215.07110

0.00000

B3G

Infos

# 60

3215.09360

13.10730

B1U

Infos

# 61

3217.30340

1.45590

B2U

Infos

# 62

3217.86430

0.00000

AG

Infos

# 63

3225.08990

0.00000

B3G

Infos

# 64

3225.20480

35.54810

B1U

Infos

# 65

3230.94330

48.56060

B2U

Infos

# 66

3231.24740

0.00000

AG

Infos