Loading...
Naphthalene++ (C10H8++)
Electronic States :

Energy
(eV)

-385.18954

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.09985
b
0.04082
c
0.02897

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

145.43320

5.49590

B3U

Infos

# 2

148.22350

0.00000

AU

Infos

# 3

323.88390

0.00000

B1G

Infos

# 4

332.20620

0.00000

B2G

Infos

# 5

357.61980

0.28420

B1U

Infos

# 6

390.87500

0.00000

AU

Infos

# 7

423.82250

20.71090

B3U

Infos

# 8

496.85730

0.00000

B3G

Infos

# 9

506.92020

0.00000

AG

Infos

# 10

580.07430

1.59900

B2U

Infos

# 11

739.74970

0.00000

AG

Infos

# 12

741.22920

0.00000

B2G

Infos

# 13

742.97730

0.00000

B1G

Infos

# 14

761.15360

4.67630

B1U

Infos

# 15

778.36770

100.81810

B3U

Infos

# 16

837.09340

0.00000

AU

Infos

# 17

917.74520

0.00000

B2G

Infos

# 18

926.18830

0.00000

B3G

Infos

# 19

951.94270

220.17460

B2U

Infos

# 20

975.39290

0.00000

B1G

Infos

# 21

996.86410

0.00000

AU

Infos

# 22

1000.55960

9.58510

B3U

Infos

# 23

1011.87290

0.00000

B2G

Infos

# 24

1013.70390

0.00000

AG

Infos

# 25

1099.47330

52.74620

B1U

Infos

# 26

1153.45100

0.00000

B3G

Infos

# 27

1177.95730

27.09850

B2U

Infos

# 28

1205.20170

0.00000

AG

Infos

# 29

1228.19560

26.09120

B2U

Infos

# 30

1234.81140

14.84360

B1U

Infos

# 31

1273.36630

0.00000

B3G

Infos

# 32

1406.05950

6.83670

B1U

Infos

# 33

1430.64130

0.00000

AG

Infos

# 34

1436.44070

138.23880

B2U

Infos

# 35

1457.16570

144.90510

B2U

Infos

# 36

1457.68250

286.96530

B1U

Infos

# 37

1463.11170

0.00000

B3G

Infos

# 38

1469.55060

0.00000

AG

Infos

# 39

1572.66260

0.00000

AG

Infos

# 40

1660.22130

0.00000

B3G

Infos

# 41

3209.02840

0.00000

B3G

Infos

# 42

3210.28730

8.90900

B1U

Infos

# 43

3211.14950

4.78480

B2U

Infos

# 44

3212.82400

0.00000

AG

Infos

# 45

3217.25060

0.00000

B3G

Infos

# 46

3218.11530

86.65780

B1U

Infos

# 47

3222.50300

91.84500

B2U

Infos

# 48

3223.48100

0.00000

AG

Infos