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Phenanthrene- (C14H10-)
Electronic States :

Energy
(eV)

-539.64596

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.05323
b
0.01804
c
0.01347

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

67.53350

0.00000

A2

Infos

# 2

107.83300

1.60810

B1

Infos

# 3

213.62690

0.98380

B1

Infos

# 4

245.02910

2.56580

A1

Infos

# 5

252.61800

0.00000

A2

Infos

# 6

363.80440

0.00000

A2

Infos

# 7

404.45980

0.69700

A1

Infos

# 8

417.85730

25.11580

B2

Infos

# 9

428.31410

9.41540

B1

Infos

# 10

493.72570

25.76180

B2

Infos

# 11

507.48480

0.00000

A2

Infos

# 12

513.82640

15.86710

B1

Infos

# 13

547.27850

0.32430

A1

Infos

# 14

581.98760

0.00000

A2

Infos

# 15

616.24530

0.09060

B2

Infos

# 16

669.15890

37.93750

B1

Infos

# 17

681.21340

0.00000

A2

Infos

# 18

691.80700

92.72220

B2

Infos

# 19

702.87800

118.78800

B1

Infos

# 20

709.28920

0.00150

A1

Infos

# 21

729.80670

6.41730

B1

Infos

# 22

755.40960

0.00000

A2

Infos

# 23

788.25560

0.00000

A2

Infos

# 24

810.26550

60.18080

B1

Infos

# 25

830.85430

8.11380

A1

Infos

# 26

839.52760

0.00000

A2

Infos

# 27

869.34560

0.00000

A2

Infos

# 28

874.46010

0.00150

B2

Infos

# 29

881.89780

8.18580

B1

Infos

# 30

922.44870

0.46990

B1

Infos

# 31

922.47160

0.00000

A2

Infos

# 32

979.44290

119.76100

B2

Infos

# 33

1038.90880

0.45830

B2

Infos

# 34

1048.25950

31.40060

A1

Infos

# 35

1087.42980

11.88510

A1

Infos

# 36

1105.48770

290.24280

B2

Infos

# 37

1127.52050

4.79680

B2

Infos

# 38

1128.51020

2.73640

A1

Infos

# 39

1161.79600

6.13280

A1

Infos

# 40

1216.69650

48.93590

A1

Infos

# 41

1225.85780

2.02260

B2

Infos

# 42

1271.34990

1.56210

A1

Infos

# 43

1288.76830

1.14600

B2

Infos

# 44

1298.34900

2.36040

A1

Infos

# 45

1303.62950

437.77710

B2

Infos

# 46

1387.04650

5.76330

A1

Infos

# 47

1417.12090

0.02180

B2

Infos

# 48

1425.10500

0.94010

A1

Infos

# 49

1452.50510

11.26750

B2

Infos

# 50

1460.72020

19.54310

A1

Infos

# 51

1500.15080

124.19470

B2

Infos

# 52

1521.55410

2.72720

A1

Infos

# 53

1529.35710

188.30490

B2

Infos

# 54

1574.92230

261.98480

B2

Infos

# 55

1580.87580

23.16970

A1

Infos

# 56

1637.88440

20.41880

A1

Infos

# 57

3132.53520

72.02330

B2

Infos

# 58

3133.64380

4.24340

A1

Infos

# 59

3142.90200

13.02580

B2

Infos

# 60

3155.73070

10.06320

B2

Infos

# 61

3156.67440

19.09500

A1

Infos

# 62

3162.94800

120.09880

B2

Infos

# 63

3166.23470

86.84510

A1

Infos

# 64

3172.92810

4.52190

A1

Infos

# 65

3184.87890

40.85580

B2

Infos

# 66

3193.64020

55.07180

A1

Infos