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Naphthalene++ (C10H8++)
Electronic States :

Energy
(eV)

-385.20592

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.10401
b
0.03995
c
0.02886

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

139.13890

2.49420

B3U

Infos

# 2

174.36160

0.00000

AU

Infos

# 3

352.07940

27.92440

B3U

Infos

# 4

352.61500

0.85080

B1U

Infos

# 5

354.55980

0.00000

B1G

Infos

# 6

361.06980

0.00000

B2G

Infos

# 7

398.45660

0.00000

B3G

Infos

# 8

439.35310

0.00000

AU

Infos

# 9

502.10240

0.00000

AG

Infos

# 10

590.70430

7.38130

B2U

Infos

# 11

709.35270

0.00000

B2G

Infos

# 12

751.23650

106.24680

B3U

Infos

# 13

766.90840

0.00000

B1G

Infos

# 14

773.91100

0.00000

AG

Infos

# 15

799.01500

0.24870

B1U

Infos

# 16

900.96410

0.00000

AU

Infos

# 17

907.42620

0.00000

B3G

Infos

# 18

983.92240

0.00000

B2G

Infos

# 19

1003.09700

29.34850

B2U

Infos

# 20

1004.14890

0.00000

B1G

Infos

# 21

1009.59090

0.00000

B3G

Infos

# 22

1029.80070

0.03680

B3U

Infos

# 23

1033.83800

0.00000

AU

Infos

# 24

1034.48680

0.00000

B2G

Infos

# 25

1057.91330

0.00000

AG

Infos

# 26

1078.46310

61.19960

B1U

Infos

# 27

1205.49910

18.95590

B2U

Infos

# 28

1214.10880

0.00000

AG

Infos

# 29

1245.77130

0.00000

B3G

Infos

# 30

1252.52950

234.87240

B2U

Infos

# 31

1314.69970

8.41630

B1U

Infos

# 32

1393.65570

0.00000

B3G

Infos

# 33

1422.35540

118.67930

B1U

Infos

# 34

1427.10120

0.00000

AG

Infos

# 35

1452.09480

0.00000

B3G

Infos

# 36

1490.70940

133.86310

B1U

Infos

# 37

1503.66890

0.00000

AG

Infos

# 38

1513.70850

231.13230

B2U

Infos

# 39

1607.72890

71.79610

B2U

Infos

# 40

1646.64600

0.00000

AG

Infos

# 41

3199.75060

0.00000

B3G

Infos

# 42

3200.93210

1.19140

B2U

Infos

# 43

3201.78100

51.30160

B1U

Infos

# 44

3202.68530

0.00000

AG

Infos

# 45

3220.23280

0.00000

B3G

Infos

# 46

3220.35350

39.56030

B1U

Infos

# 47

3229.58710

98.95250

B2U

Infos

# 48

3230.01700

0.00000

AG

Infos