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Azulene- (C10H8-)
Electronic States :

Energy
(eV)

-385.93429

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.09406
b
0.04082
c
0.02847

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

144.79590

0.38870

B1

Infos

# 2

193.64530

0.00000

A2

Infos

# 3

298.40920

13.56390

B1

Infos

# 4

329.50240

1.96000

B2

Infos

# 5

390.71270

0.52980

A1

Infos

# 6

448.26070

0.00000

A2

Infos

# 7

496.10940

0.90900

B2

Infos

# 8

586.40660

9.66950

B1

Infos

# 9

607.00270

14.27560

B1

Infos

# 10

645.79970

34.14140

B1

Infos

# 11

672.24270

0.55670

A1

Infos

# 12

682.52510

115.01620

B1

Infos

# 13

703.51840

0.00000

A2

Infos

# 14

710.70210

0.00000

A2

Infos

# 15

754.50990

0.45870

B2

Infos

# 16

766.09460

17.76540

B1

Infos

# 17

801.31160

28.30410

B1

Infos

# 18

805.66220

0.00000

A2

Infos

# 19

856.66440

4.68180

A1

Infos

# 20

895.43790

0.74980

A1

Infos

# 21

910.44540

0.38560

B1

Infos

# 22

915.25000

0.00000

A2

Infos

# 23

926.20870

26.89940

A1

Infos

# 24

1018.54780

10.32160

B2

Infos

# 25

1055.58620

28.14600

A1

Infos

# 26

1074.72540

0.38650

B2

Infos

# 27

1178.46800

4.89140

B2

Infos

# 28

1211.98890

2.67570

B2

Infos

# 29

1220.36160

1.81690

A1

Infos

# 30

1272.47330

8.32710

B2

Infos

# 31

1278.74870

3.33980

A1

Infos

# 32

1359.56590

4.17600

B2

Infos

# 33

1386.95400

19.19420

B2

Infos

# 34

1399.15850

44.39930

A1

Infos

# 35

1420.47740

13.45660

B2

Infos

# 36

1454.18480

0.01050

A1

Infos

# 37

1459.52480

2.86600

B2

Infos

# 38

1541.10160

19.34960

A1

Infos

# 39

1570.24150

5.69340

B2

Infos

# 40

1625.55600

37.19180

A1

Infos

# 41

3092.25540

12.89560

A1

Infos

# 42

3096.17130

10.23380

B2

Infos

# 43

3122.36700

9.23340

A1

Infos

# 44

3127.87930

153.66060

B2

Infos

# 45

3146.57930

108.79390

A1

Infos

# 46

3166.59140

2.80520

A1

Infos

# 47

3178.98030

59.40040

B2

Infos

# 48

3200.57050

63.09770

A1

Infos