Loading...
Fluoranthene (C16H10)
Electronic States :

Energy
(eV)

-615.87971

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.03432
b
0.01633
c
0.01106

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

105.55780

3.15560

B1

Infos

# 2

125.56620

0.00000

A2

Infos

# 3

172.38900

3.37900

B1

Infos

# 4

203.44560

0.13990

B2

Infos

# 5

258.26220

0.00000

A2

Infos

# 6

298.99830

0.60460

B1

Infos

# 7

353.87720

0.22050

A1

Infos

# 8

441.88020

0.98130

B1

Infos

# 9

443.03460

0.00000

A2

Infos

# 10

471.52330

0.04580

B1

Infos

# 11

475.14260

0.62690

B2

Infos

# 12

491.19010

1.74180

A1

Infos

# 13

563.89230

0.10550

B2

Infos

# 14

570.22650

3.16740

A1

Infos

# 15

578.71870

0.00000

A2

Infos

# 16

618.30270

0.01720

B2

Infos

# 17

644.38040

16.82690

B1

Infos

# 18

662.57080

0.00000

A2

Infos

# 19

683.39150

1.75820

A1

Infos

# 20

759.37770

0.00000

A2

Infos

# 21

759.69180

41.50930

B1

Infos

# 22

771.26960

2.78120

B2

Infos

# 23

799.04090

127.11020

B1

Infos

# 24

812.15610

0.41380

A1

Infos

# 25

814.53830

0.00000

A2

Infos

# 26

878.04890

14.66840

B1

Infos

# 27

890.77630

0.00000

A2

Infos

# 28

910.78790

1.55310

A1

Infos

# 29

924.44450

0.00000

A2

Infos

# 30

927.79280

0.00000

B1

Infos

# 31

953.50990

2.14560

B1

Infos

# 32

975.53590

0.18380

B2

Infos

# 33

981.80950

0.00000

A2

Infos

# 34

986.17320

0.00000

A2

Infos

# 35

989.08910

1.84870

B1

Infos

# 36

1037.06580

3.22800

B2

Infos

# 37

1039.97490

4.29570

A1

Infos

# 38

1058.85360

4.10620

A1

Infos

# 39

1102.80760

0.03830

B2

Infos

# 40

1128.25070

0.93500

A1

Infos

# 41

1158.18000

9.27610

B2

Infos

# 42

1176.70520

0.45170

A1

Infos

# 43

1182.69050

1.72370

B2

Infos

# 44

1208.91560

3.58740

A1

Infos

# 45

1240.27210

2.41440

B2

Infos

# 46

1251.72800

1.41470

B2

Infos

# 47

1300.20290

2.05570

A1

Infos

# 48

1312.45360

0.09050

B2

Infos

# 49

1355.91910

0.17750

A1

Infos

# 50

1407.56210

0.38220

B2

Infos

# 51

1411.40170

2.02080

A1

Infos

# 52

1444.35190

4.96640

A1

Infos

# 53

1463.83950

1.52130

A1

Infos

# 54

1473.20210

13.46900

B2

Infos

# 55

1491.50720

71.27040

A1

Infos

# 56

1506.00650

0.52770

B2

Infos

# 57

1525.21880

7.49550

B2

Infos

# 58

1623.31410

0.19320

A1

Infos

# 59

1650.46390

0.86690

A1

Infos

# 60

1658.39810

0.75590

B2

Infos

# 61

1658.66410

4.73570

A1

Infos

# 62

1669.01050

0.18980

B2

Infos

# 63

3181.65090

1.59630

B2

Infos

# 64

3182.75800

0.17200

B2

Infos

# 65

3182.94910

1.88940

A1

Infos

# 66

3189.97550

3.15760

A1

Infos

# 67

3193.77920

0.56220

B2

Infos

# 68

3194.78050

12.51840

A1

Infos

# 69

3198.74190

15.28640

B2

Infos

# 70

3206.57800

36.92330

B2

Infos

# 71

3207.63990

22.54810

A1

Infos

# 72

3211.60760

20.68140

A1

Infos