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Azulene (C10H8)
Electronic States :

Energy
(eV)

-385.91923

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.09435
b
0.04155
c
0.02885

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

167.68930

0.00000

A2

Infos

# 2

172.69900

2.11970

B1

Infos

# 3

321.88290

11.41430

B1

Infos

# 4

334.63410

0.87670

B2

Infos

# 5

407.61910

1.26820

A1

Infos

# 6

434.16420

0.00000

A2

Infos

# 7

498.35080

1.79150

B2

Infos

# 8

575.09960

10.06560

B1

Infos

# 9

611.67730

1.14650

B1

Infos

# 10

684.81080

0.92060

A1

Infos

# 11

740.15020

0.00000

A2

Infos

# 12

745.10770

4.37300

B1

Infos

# 13

745.25230

0.11690

B2

Infos

# 14

788.06500

147.62570

B1

Infos

# 15

800.37090

0.00000

A2

Infos

# 16

833.85200

6.05240

A1

Infos

# 17

885.51610

0.00000

A2

Infos

# 18

900.12390

1.25750

A1

Infos

# 19

932.30690

0.12990

B1

Infos

# 20

962.38120

3.40200

A1

Infos

# 21

975.10130

8.33030

B1

Infos

# 22

996.60710

0.00000

A2

Infos

# 23

1010.28880

0.02810

B1

Infos

# 24

1026.69370

13.72570

B2

Infos

# 25

1063.14310

1.26960

B2

Infos

# 26

1078.32620

10.75630

A1

Infos

# 27

1185.36220

0.09150

B2

Infos

# 28

1238.70000

9.45570

B2

Infos

# 29

1240.93720

0.28390

A1

Infos

# 30

1305.66220

0.87940

A1

Infos

# 31

1322.16430

2.63240

B2

Infos

# 32

1339.32240

0.20930

B2

Infos

# 33

1424.40450

0.62270

B2

Infos

# 34

1433.46340

85.85820

A1

Infos

# 35

1481.06490

8.01330

B2

Infos

# 36

1486.32600

25.24120

A1

Infos

# 37

1542.37700

8.30230

B2

Infos

# 38

1582.31230

7.42520

A1

Infos

# 39

1647.46870

61.39580

A1

Infos

# 40

1648.62430

3.58440

B2

Infos

# 41

3153.42690

0.00360

A1

Infos

# 42

3155.51730

9.93460

B2

Infos

# 43

3162.69900

6.96630

A1

Infos

# 44

3182.17180

30.80610

B2

Infos

# 45

3191.47780

22.46190

A1

Infos

# 46

3215.86850

6.19470

A1

Infos

# 47

3235.20760

6.88680

B2

Infos

# 48

3244.30930

7.04670

A1

Infos