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Naphthalene- (C10H8-)
Electronic States :

Energy
(eV)

-385.95618

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.10358
b
0.03983
c
0.02877

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

166.77370

0.00000

AU

Infos

# 2

178.70790

6.01310

B3U

Infos

# 3

307.87200

0.00000

B1G

Infos

# 4

362.24880

5.01590

B1U

Infos

# 5

472.75240

17.56400

B3U

Infos

# 6

505.26240

0.00000

B3G

Infos

# 7

506.94890

0.00000

AG

Infos

# 8

520.84980

0.00000

B2G

Infos

# 9

596.25750

0.00000

AU

Infos

# 10

600.43580

12.01760

B2U

Infos

# 11

646.92320

0.00000

B1G

Infos

# 12

695.04500

0.00000

AU

Infos

# 13

704.04340

188.95380

B3U

Infos

# 14

730.01790

0.00000

B2G

Infos

# 15

753.33710

0.00000

AG

Infos

# 16

761.44360

0.00000

B1G

Infos

# 17

787.27380

29.34630

B3U

Infos

# 18

789.39530

9.27850

B1U

Infos

# 19

819.06830

0.00000

B2G

Infos

# 20

862.45200

0.00000

AU

Infos

# 21

874.26770

0.00000

B2G

Infos

# 22

886.20170

0.00000

B3G

Infos

# 23

1019.29100

120.33770

B2U

Infos

# 24

1049.75370

0.00000

AG

Infos

# 25

1059.64570

0.00000

B3G

Infos

# 26

1099.50460

32.83130

B1U

Infos

# 27

1149.53690

5.83680

B2U

Infos

# 28

1153.63240

0.00000

AG

Infos

# 29

1211.26490

127.20690

B2U

Infos

# 30

1221.45830

0.00000

B3G

Infos

# 31

1266.65050

5.93100

B1U

Infos

# 32

1382.07360

2.13350

B1U

Infos

# 33

1396.95680

0.00000

AG

Infos

# 34

1417.45690

0.00000

B3G

Infos

# 35

1421.65460

51.42930

B2U

Infos

# 36

1431.50320

0.00000

B3G

Infos

# 37

1463.60270

0.00000

AG

Infos

# 38

1526.09690

148.09270

B2U

Infos

# 39

1535.18260

14.15420

B1U

Infos

# 40

1606.01560

0.00000

AG

Infos

# 41

3121.90190

0.00000

B3G

Infos

# 42

3125.01140

0.05620

B1U

Infos

# 43

3134.09230

65.43210

B2U

Infos

# 44

3139.44740

0.00000

AG

Infos

# 45

3147.15310

0.00000

B3G

Infos

# 46

3151.56250

194.15700

B1U

Infos

# 47

3163.43380

143.61750

B2U

Infos

# 48

3168.34470

0.00000

AG

Infos