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Phenanthrene (C14H10)
Electronic States :

Energy
(eV)

-539.65460

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05357
b
0.01832
c
0.01365

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

100.87470

0.00000

A2

Infos

# 2

104.52160

1.01900

B1

Infos

# 3

233.26780

4.19310

B1

Infos

# 4

246.32540

0.40650

A1

Infos

# 5

247.44270

0.00000

A2

Infos

# 6

403.12410

0.00000

A2

Infos

# 7

409.97640

0.48650

A1

Infos

# 8

438.02690

8.37250

B1

Infos

# 9

443.69910

2.08330

B2

Infos

# 10

502.59970

0.81910

B2

Infos

# 11

510.52820

5.31190

B1

Infos

# 12

545.41340

0.00000

A2

Infos

# 13

553.46580

0.40920

A1

Infos

# 14

606.14870

0.00000

A2

Infos

# 15

625.07230

6.09290

B2

Infos

# 16

723.19760

0.10480

A1

Infos

# 17

723.72660

2.15500

B2

Infos

# 18

732.99760

1.63110

B1

Infos

# 19

750.64790

99.00900

B1

Infos

# 20

770.77310

0.00000

A2

Infos

# 21

811.69850

0.00000

A2

Infos

# 22

834.84640

59.70470

B1

Infos

# 23

838.69590

0.00170

A1

Infos

# 24

886.80490

17.71720

B1

Infos

# 25

887.44960

2.17960

B2

Infos

# 26

891.10690

0.00000

A2

Infos

# 27

955.60170

0.00000

A2

Infos

# 28

966.12020

5.77500

B1

Infos

# 29

983.83760

0.00000

A2

Infos

# 30

993.08610

0.04190

B1

Infos

# 31

994.41140

0.00000

A2

Infos

# 32

1014.27750

2.35920

B2

Infos

# 33

1057.74470

7.96670

B2

Infos

# 34

1061.06700

2.03690

A1

Infos

# 35

1115.07560

4.62920

A1

Infos

# 36

1160.34240

3.20620

B2

Infos

# 37

1172.55960

0.10520

A1

Infos

# 38

1183.84000

0.73400

B2

Infos

# 39

1187.08110

0.11680

A1

Infos

# 40

1234.53340

3.30690

A1

Infos

# 41

1243.05780

0.97110

B2

Infos

# 42

1268.99500

11.00810

A1

Infos

# 43

1301.35230

0.09010

B2

Infos

# 44

1332.86050

2.74130

A1

Infos

# 45

1394.61390

0.27560

B2

Infos

# 46

1396.94130

0.59900

A1

Infos

# 47

1440.28090

0.29100

B2

Infos

# 48

1460.75450

4.11220

A1

Infos

# 49

1473.31630

1.66330

A1

Infos

# 50

1488.62960

12.35440

B2

Infos

# 51

1538.76580

6.30240

B2

Infos

# 52

1566.25400

1.82290

A1

Infos

# 53

1620.24500

0.08200

B2

Infos

# 54

1651.15870

2.61990

A1

Infos

# 55

1665.74540

0.21300

B2

Infos

# 56

1671.97650

0.08190

A1

Infos

# 57

3178.68860

0.00000

B2

Infos

# 58

3181.23300

1.96940

A1

Infos

# 59

3181.74610

1.11560

B2

Infos

# 60

3190.84360

0.03840

B2

Infos

# 61

3192.52050

12.60290

A1

Infos

# 62

3199.59240

26.52810

A1

Infos

# 63

3204.81930

31.37270

B2

Infos

# 64

3208.60560

1.07860

A1

Infos

# 65

3214.93330

17.71080

B2

Infos

# 66

3226.77290

20.10830

A1

Infos