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Azulene+ (C10H8+)
Electronic States :

Energy
(eV)

-385.65946

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.09551
b
0.04107
c
0.02872

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

158.98950

1.63670

B1

Infos

# 2

160.17720

0.00000

A2

Infos

# 3

303.33520

8.48570

B1

Infos

# 4

334.42060

0.25730

B2

Infos

# 5

387.45880

0.00000

A2

Infos

# 6

404.13800

0.18390

A1

Infos

# 7

498.27680

0.26770

B2

Infos

# 8

499.66960

22.15760

B1

Infos

# 9

570.10120

0.17390

B1

Infos

# 10

688.03740

0.09500

A1

Infos

# 11

725.82210

0.00000

A2

Infos

# 12

733.96830

4.90480

B1

Infos

# 13

752.25320

1.22060

B2

Infos

# 14

799.47440

102.98210

B1

Infos

# 15

847.42460

3.83860

A1

Infos

# 16

860.89560

0.00000

A2

Infos

# 17

890.71070

0.12480

A1

Infos

# 18

922.01010

0.00000

A2

Infos

# 19

957.39540

2.02590

B1

Infos

# 20

959.65120

2.39400

A1

Infos

# 21

995.91160

5.76570

B1

Infos

# 22

1036.03090

0.00000

A2

Infos

# 23

1049.28660

0.23460

B1

Infos

# 24

1060.04710

2.65630

B2

Infos

# 25

1069.88300

0.42290

B2

Infos

# 26

1100.08330

7.28490

A1

Infos

# 27

1168.84820

0.50080

B2

Infos

# 28

1242.79490

0.24950

A1

Infos

# 29

1263.87730

0.81000

A1

Infos

# 30

1268.30380

4.54190

B2

Infos

# 31

1295.89910

1.76190

B2

Infos

# 32

1380.11450

4.95410

B2

Infos

# 33

1397.83300

71.71680

B2

Infos

# 34

1435.46890

67.95920

A1

Infos

# 35

1473.11250

29.60020

B2

Infos

# 36

1480.61470

7.92260

B2

Infos

# 37

1492.66680

3.58050

A1

Infos

# 38

1588.76760

0.69510

A1

Infos

# 39

1619.44360

0.00260

A1

Infos

# 40

1634.79280

3.23960

B2

Infos

# 41

3187.86790

0.00040

A1

Infos

# 42

3188.98600

0.05220

B2

Infos

# 43

3196.37450

0.01670

A1

Infos

# 44

3205.63550

0.03330

B2

Infos

# 45

3213.13320

0.41320

A1

Infos

# 46

3240.91280

0.61420

A1

Infos

# 47

3245.09580

2.63840

B2

Infos

# 48

3266.51480

8.43470

A1

Infos