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Naphthalene (C10H8)
Electronic States :

Energy
(eV)

-385.97354

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.10334
b
0.04088
c
0.02929

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

176.46600

2.79520

B3U

Infos

# 2

188.75010

0.00000

AU

Infos

# 3

362.40390

1.45850

B1U

Infos

# 4

396.07380

0.00000

B1G

Infos

# 5

480.16760

0.00000

B2G

Infos

# 6

488.02870

23.87470

B3U

Infos

# 7

512.53830

0.00000

B3G

Infos

# 8

517.00420

0.00000

AG

Infos

# 9

628.51900

3.86360

B2U

Infos

# 10

637.20440

0.00000

AU

Infos

# 11

730.72100

0.00000

B1G

Infos

# 12

776.84570

0.00000

AG

Infos

# 13

792.40520

0.00000

B2G

Infos

# 14

801.65450

138.30120

B3U

Infos

# 15

802.61020

0.02810

B1U

Infos

# 16

847.74580

0.00000

AU

Infos

# 17

900.52680

0.00000

B2G

Infos

# 18

941.15580

0.00000

B3G

Infos

# 19

957.65530

0.00000

B1G

Infos

# 20

978.52760

6.18490

B3U

Infos

# 21

990.24730

0.00000

AU

Infos

# 22

996.50010

0.00000

B2G

Infos

# 23

1034.84740

10.27560

B2U

Infos

# 24

1046.36430

0.00000

AG

Infos

# 25

1145.30200

9.34570

B1U

Infos

# 26

1164.73560

0.00000

B3G

Infos

# 27

1169.21410

1.04750

B2U

Infos

# 28

1181.15700

0.00000

AG

Infos

# 29

1236.59530

1.60260

B2U

Infos

# 30

1265.81180

0.00000

B3G

Infos

# 31

1289.69570

5.58690

B1U

Infos

# 32

1405.91890

1.20140

B2U

Infos

# 33

1407.55730

5.77380

B1U

Infos

# 34

1426.21360

0.00000

AG

Infos

# 35

1486.02810

0.00000

B3G

Infos

# 36

1486.11840

0.00000

AG

Infos

# 37

1551.22150

8.84510

B2U

Infos

# 38

1625.09950

0.00000

AG

Infos

# 39

1644.28830

3.59650

B1U

Infos

# 40

1680.42300

0.00000

B3G

Infos

# 41

3177.67090

0.00000

B3G

Infos

# 42

3179.31450

3.15020

B1U

Infos

# 43

3182.26230

0.45390

B2U

Infos

# 44

3185.24700

0.00000

AG

Infos

# 45

3196.44180

0.00000

B3G

Infos

# 46

3197.82380

48.55980

B1U

Infos

# 47

3209.67530

40.38680

B2U

Infos

# 48

3211.02110

0.00000

AG

Infos