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Azulene++ (C10H8++)
Electronic States :

Energy
(eV)

-385.16884

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.09218
b
0.04137
c
0.02856

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

130.37080

3.25400

B1

Infos

# 2

142.57820

0.00000

A2

Infos

# 3

274.77860

8.10580

B1

Infos

# 4

332.04530

0.32130

B2

Infos

# 5

336.99630

0.00000

A2

Infos

# 6

395.99420

1.35300

A1

Infos

# 7

406.18790

2.68140

B1

Infos

# 8

485.48080

21.23000

B1

Infos

# 9

495.38720

0.00190

B2

Infos

# 10

671.18530

1.60460

A1

Infos

# 11

691.65810

0.00000

A2

Infos

# 12

728.57030

7.96740

B1

Infos

# 13

755.35880

1.72370

B2

Infos

# 14

790.08520

85.70070

B1

Infos

# 15

824.85550

3.70030

A1

Infos

# 16

838.33470

0.00000

A2

Infos

# 17

879.71930

2.92200

A1

Infos

# 18

904.56750

0.00000

A2

Infos

# 19

926.45170

57.40240

A1

Infos

# 20

943.37310

1.41950

B1

Infos

# 21

1006.41030

5.14720

B1

Infos

# 22

1045.77050

0.00000

A2

Infos

# 23

1047.31780

0.66700

B1

Infos

# 24

1048.10190

24.91390

A1

Infos

# 25

1062.50140

0.15350

B2

Infos

# 26

1098.10480

18.28270

B2

Infos

# 27

1197.13020

2.08160

B2

Infos

# 28

1231.39810

10.40330

B2

Infos

# 29

1246.98330

22.19610

A1

Infos

# 30

1257.42030

88.60520

A1

Infos

# 31

1331.24440

0.80860

B2

Infos

# 32

1393.97370

26.50650

B2

Infos

# 33

1403.89310

50.02620

A1

Infos

# 34

1411.45390

0.01630

B2

Infos

# 35

1454.71650

4.79960

A1

Infos

# 36

1475.08240

9.65300

B2

Infos

# 37

1530.12670

108.15480

A1

Infos

# 38

1539.48380

75.28950

B2

Infos

# 39

1552.66000

19.11690

B2

Infos

# 40

1589.97750

1.82710

A1

Infos

# 41

3190.76460

1.55760

A1

Infos

# 42

3193.11470

12.54490

B2

Infos

# 43

3194.52950

8.72830

A1

Infos

# 44

3206.44440

35.65110

B2

Infos

# 45

3209.24910

32.37300

A1

Infos

# 46

3229.73730

9.18950

A1

Infos

# 47

3236.70130

58.44040

B2

Infos

# 48

3243.19650

54.56160

A1

Infos