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Anthracene+ (C14H10+)
Electronic States :

Energy
(eV)

-539.39053

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.07135
b
0.01500
c
0.01240

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

88.55000

1.88980

B3U

Infos

# 2

121.67310

0.00000

AU

Infos

# 3

222.61750

0.00000

B1G

Infos

# 4

233.01940

0.54770

B1U

Infos

# 5

273.97090

0.00000

B2G

Infos

# 6

383.16990

0.00000

B3G

Infos

# 7

384.49540

0.00110

B3U

Infos

# 8

393.96310

0.00000

AG

Infos

# 9

449.24170

32.93150

B3U

Infos

# 10

459.64660

0.00000

B1G

Infos

# 11

483.38970

0.00000

AU

Infos

# 12

514.59730

0.00000

B3G

Infos

# 13

566.08600

0.00000

B2G

Infos

# 14

604.55610

1.62190

B2U

Infos

# 15

621.13520

0.00000

AG

Infos

# 16

663.37510

0.00410

B1U

Infos

# 17

743.22680

0.00000

AU

Infos

# 18

767.42640

0.00000

AG

Infos

# 19

767.68690

102.74670

B3U

Infos

# 20

775.37690

0.00000

B1G

Infos

# 21

784.18440

0.00000

B2G

Infos

# 22

839.02340

2.32470

B2U

Infos

# 23

867.51280

0.00000

B2G

Infos

# 24

900.51690

0.00000

AU

Infos

# 25

908.90000

0.41250

B1U

Infos

# 26

918.93180

0.00000

B3G

Infos

# 27

933.57980

33.97440

B3U

Infos

# 28

960.18930

0.00000

B2G

Infos

# 29

989.34780

0.00000

B1G

Infos

# 30

996.64480

9.82110

B3U

Infos

# 31

1019.96790

0.00000

AU

Infos

# 32

1021.32490

0.00000

B2G

Infos

# 33

1050.41380

0.00000

AG

Infos

# 34

1051.24130

1.94700

B2U

Infos

# 35

1120.11580

0.00000

B3G

Infos

# 36

1154.85980

0.44970

B1U

Infos

# 37

1186.01780

0.52040

B2U

Infos

# 38

1198.93570

0.00000

AG

Infos

# 39

1207.81290

0.00000

B3G

Infos

# 40

1213.66470

168.64700

B2U

Infos

# 41

1289.06300

0.00000

AG

Infos

# 42

1303.75110

0.00000

B3G

Infos

# 43

1307.70880

9.28160

B1U

Infos

# 44

1320.51870

14.46990

B1U

Infos

# 45

1401.00780

251.42800

B2U

Infos

# 46

1421.32000

0.00000

B3G

Infos

# 47

1435.47210

0.00000

AG

Infos

# 48

1452.46120

205.71240

B2U

Infos

# 49

1480.97870

24.09270

B1U

Infos

# 50

1483.61410

40.68610

B2U

Infos

# 51

1537.00950

0.00000

AG

Infos

# 52

1567.26840

0.00000

B3G

Infos

# 53

1578.13710

91.26910

B2U

Infos

# 54

1579.86040

0.00000

B3G

Infos

# 55

1611.15360

0.00000

AG

Infos

# 56

1626.55660

54.13030

B1U

Infos

# 57

3197.96030

0.00850

B1U

Infos

# 58

3200.09030

0.00000

AG

Infos

# 59

3205.53820

0.00000

B3G

Infos

# 60

3205.73790

0.01850

B1U

Infos

# 61

3208.32460

0.75640

B2U

Infos

# 62

3209.15480

0.00000

AG

Infos

# 63

3221.28940

0.00000

B3G

Infos

# 64

3221.45810

0.41910

B1U

Infos

# 65

3232.07550

0.48850

B2U

Infos

# 66

3232.20680

0.00000

AG

Infos