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Phenanthrene++ (C14H10++)
Electronic States :

Energy
(eV)

-538.93704

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05517
b
0.01773
c
0.01342

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

61.78480

0.00000

A2

Infos

# 2

104.08330

2.06040

B1

Infos

# 3

198.17820

9.57520

B1

Infos

# 4

221.45620

0.00000

A2

Infos

# 5

236.19950

0.03760

A1

Infos

# 6

347.12680

0.00000

A2

Infos

# 7

382.36010

13.43890

B1

Infos

# 8

399.70550

0.06730

A1

Infos

# 9

400.66160

0.00000

A2

Infos

# 10

414.64310

2.92890

B1

Infos

# 11

429.09720

0.36190

B2

Infos

# 12

494.10240

0.47100

B2

Infos

# 13

501.95550

0.00000

A2

Infos

# 14

543.28800

1.06750

A1

Infos

# 15

583.68320

76.58020

B2

Infos

# 16

677.30120

42.43460

B1

Infos

# 17

700.20330

0.00960

A1

Infos

# 18

708.97610

1.90240

B2

Infos

# 19

757.10110

0.00000

A2

Infos

# 20

796.47920

0.00000

A2

Infos

# 21

802.41850

51.98900

B1

Infos

# 22

831.82520

0.36340

A1

Infos

# 23

865.80460

34.01720

B2

Infos

# 24

878.14350

33.72700

B1

Infos

# 25

917.09790

0.00000

A2

Infos

# 26

929.96520

9.41530

B1

Infos

# 27

990.16010

80.15850

B2

Infos

# 28

997.87530

0.00000

A2

Infos

# 29

1011.56060

2.46330

B1

Infos

# 30

1029.77840

0.00000

A2

Infos

# 31

1034.43480

0.00000

A2

Infos

# 32

1035.73960

3.85520

B1

Infos

# 33

1042.85010

36.52320

B2

Infos

# 34

1042.94020

20.36740

A1

Infos

# 35

1108.10110

0.03900

A1

Infos

# 36

1111.19920

10.60540

A1

Infos

# 37

1154.89730

71.37260

B2

Infos

# 38

1178.76840

147.97630

B2

Infos

# 39

1209.71940

0.65650

A1

Infos

# 40

1227.17400

14.26880

A1

Infos

# 41

1257.86830

81.29650

B2

Infos

# 42

1306.60890

43.29380

A1

Infos

# 43

1322.81150

28.54570

B2

Infos

# 44

1324.74600

23.80660

A1

Infos

# 45

1383.92700

238.72410

B2

Infos

# 46

1420.29420

10.76750

A1

Infos

# 47

1449.70660

194.80200

B2

Infos

# 48

1453.55990

2.23780

A1

Infos

# 49

1467.14610

0.04520

B2

Infos

# 50

1510.78550

0.10560

A1

Infos

# 51

1548.67100

108.13560

A1

Infos

# 52

1552.93530

28.06930

B2

Infos

# 53

1573.98880

121.10950

A1

Infos

# 54

1596.31630

18.12350

B2

Infos

# 55

1625.12920

207.97240

B2

Infos

# 56

1645.95630

89.41730

A1

Infos

# 57

3207.40740

0.25720

B2

Infos

# 58

3211.93160

0.27160

A1

Infos

# 59

3212.36810

7.42030

B2

Infos

# 60

3214.70430

0.95210

A1

Infos

# 61

3214.90140

0.09260

B2

Infos

# 62

3215.86810

40.55790

A1

Infos

# 63

3230.11530

0.01020

B2

Infos

# 64

3237.65510

0.23580

A1

Infos

# 65

3237.94350

52.61980

B2

Infos

# 66

3241.60190

6.38300

A1

Infos