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Phenanthrene+ (C14H10+)
Electronic States :

Energy
(eV)

-539.38101

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05447
b
0.01808
c
0.01357

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

84.54990

0.00000

A2

Infos

# 2

104.57710

1.45140

B1

Infos

# 3

218.12210

6.81670

B1

Infos

# 4

237.03320

0.00000

A2

Infos

# 5

242.00840

0.00520

A1

Infos

# 6

383.91190

0.00000

A2

Infos

# 7

406.29890

0.18160

A1

Infos

# 8

413.55810

11.22210

B1

Infos

# 9

435.38900

0.65320

B2

Infos

# 10

477.28100

0.28630

B1

Infos

# 11

490.17010

3.07040

B2

Infos

# 12

490.19720

0.00000

A2

Infos

# 13

549.01230

0.72670

A1

Infos

# 14

551.95130

0.00000

A2

Infos

# 15

593.20780

45.11280

B2

Infos

# 16

710.82590

42.64850

B1

Infos

# 17

713.86780

0.00110

A1

Infos

# 18

719.05380

0.40440

B2

Infos

# 19

776.51230

57.80200

B1

Infos

# 20

776.83740

0.00000

A2

Infos

# 21

792.46480

0.00000

A2

Infos

# 22

839.36460

0.01600

A1

Infos

# 23

859.07050

44.93600

B1

Infos

# 24

878.70680

4.32070

B2

Infos

# 25

900.73690

0.00000

A2

Infos

# 26

906.60180

9.66970

B1

Infos

# 27

976.45160

0.00000

A2

Infos

# 28

989.20240

3.69340

B1

Infos

# 29

1000.90890

0.00000

A2

Infos

# 30

1001.07260

19.97440

B2

Infos

# 31

1014.91930

0.00000

A2

Infos

# 32

1017.06640

0.84300

B1

Infos

# 33

1056.55000

3.77760

B2

Infos

# 34

1060.75990

2.34230

A1

Infos

# 35

1114.91710

0.05320

A1

Infos

# 36

1152.34240

4.45120

B2

Infos

# 37

1161.44170

157.68560

B2

Infos

# 38

1162.47090

0.97220

A1

Infos

# 39

1198.44850

2.60160

A1

Infos

# 40

1245.26870

11.74770

A1

Infos

# 41

1250.50340

54.22920

B2

Infos

# 42

1287.19130

38.81590

A1

Infos

# 43

1312.97080

3.41810

B2

Infos

# 44

1332.42470

0.02420

A1

Infos

# 45

1354.26560

225.28250

B2

Infos

# 46

1414.04910

0.00900

A1

Infos

# 47

1445.97320

4.61930

A1

Infos

# 48

1452.76570

17.92400

B2

Infos

# 49

1468.49190

66.50610

B2

Infos

# 50

1472.77130

0.45020

A1

Infos

# 51

1544.53770

4.71220

B2

Infos

# 52

1554.71670

4.96470

A1

Infos

# 53

1558.99680

14.23360

B2

Infos

# 54

1589.28210

114.43050

A1

Infos

# 55

1610.96290

219.03460

B2

Infos

# 56

1649.79740

18.53630

A1

Infos

# 57

3205.00830

0.57610

B2

Infos

# 58

3208.31970

0.00010

A1

Infos

# 59

3208.46080

0.02910

B2

Infos

# 60

3213.82620

0.00630

B2

Infos

# 61

3215.69460

0.08180

A1

Infos

# 62

3218.24830

0.04980

A1

Infos

# 63

3226.81070

0.03330

B2

Infos

# 64

3233.25990

0.11180

A1

Infos

# 65

3234.76880

0.47660

B2

Infos

# 66

3240.37530

0.84350

A1

Infos