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Anthracene (C14H10)
Electronic States :

Energy
(eV)

-539.64570

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.07112
b
0.01501
c
0.01239

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

93.84600

1.44560

B3U

Infos

# 2

123.64100

0.00000

AU

Infos

# 3

234.25100

1.52910

B1U

Infos

# 4

239.08600

0.00000

B1G

Infos

# 5

273.23350

0.00000

B2G

Infos

# 6

387.77010

0.19180

B3U

Infos

# 7

391.82240

0.00000

B3G

Infos

# 8

396.87520

0.00000

AG

Infos

# 9

483.07170

0.00000

B1G

Infos

# 10

484.40840

26.66720

B3U

Infos

# 11

509.04520

0.00000

AU

Infos

# 12

529.60200

0.00000

B3G

Infos

# 13

596.74250

0.00000

B2G

Infos

# 14

611.91920

9.02840

B2U

Infos

# 15

635.29920

0.00000

AG

Infos

# 16

657.62280

0.36220

B1U

Infos

# 17

743.09180

98.62080

B3U

Infos

# 18

763.11950

0.00000

AU

Infos

# 19

767.30290

0.00000

AG

Infos

# 20

772.79480

0.00000

B1G

Infos

# 21

802.88890

0.00000

B2G

Infos

# 22

828.79160

0.05020

B2U

Infos

# 23

845.53440

0.00000

B2G

Infos

# 24

870.90200

0.00000

AU

Infos

# 25

904.72700

72.51910

B3U

Infos

# 26

910.65980

1.37600

B1U

Infos

# 27

920.58950

0.00000

B3G

Infos

# 28

936.82790

0.00000

B2G

Infos

# 29

969.05080

0.00000

B1G

Infos

# 30

976.32860

13.69740

B3U

Infos

# 31

990.93030

0.00000

AU

Infos

# 32

991.63140

0.00000

B2G

Infos

# 33

1027.81680

9.34320

B2U

Infos

# 34

1030.69280

0.00000

AG

Infos

# 35

1126.48200

0.00000

B3G

Infos

# 36

1161.75420

2.02500

B2U

Infos

# 37

1167.36190

12.27300

B1U

Infos

# 38

1185.16360

0.00000

AG

Infos

# 39

1191.70450

2.36800

B2U

Infos

# 40

1207.07240

0.00000

B3G

Infos

# 41

1291.37370

3.33970

B1U

Infos

# 42

1296.08870

0.00000

B3G

Infos

# 43

1298.11010

0.00000

AG

Infos

# 44

1339.05670

4.97660

B1U

Infos

# 45

1393.72600

3.77500

B2U

Infos

# 46

1406.14560

0.00000

B3G

Infos

# 47

1436.75030

2.62400

B2U

Infos

# 48

1450.82230

0.00000

AG

Infos

# 49

1480.45810

1.58300

B2U

Infos

# 50

1486.09960

2.18250

B1U

Infos

# 51

1518.95200

0.00000

AG

Infos

# 52

1588.15690

6.87120

B2U

Infos

# 53

1607.11630

0.00000

AG

Infos

# 54

1630.06870

0.00000

B3G

Infos

# 55

1678.08830

4.80840

B1U

Infos

# 56

1680.13190

0.00000

B3G

Infos

# 57

3177.08340

1.43370

B1U

Infos

# 58

3179.05070

0.00000

B3G

Infos

# 59

3179.61850

0.00000

AG

Infos

# 60

3180.65760

11.48160

B1U

Infos

# 61

3183.70020

0.09700

B2U

Infos

# 62

3185.77600

0.00000

AG

Infos

# 63

3197.94160

0.00000

B3G

Infos

# 64

3198.32820

50.35790

B1U

Infos

# 65

3210.84990

50.53310

B2U

Infos

# 66

3211.35440

0.00000

AG

Infos