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Biphenylene- (C12H8-)
Electronic States :

Energy
(eV)

-462.12106

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**


Rotational Constants
(cm-1)

a
0.09145
b
0.02217
c
0.01784

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analysis Harmonic :

#

Frequency
(cm-1)

IR Intesity
(km/mol)

Symmetry

More...

# 1

103.83090

2.58200

B3U

Infos

# 2

151.14380

0.00000

AU

Infos

# 3

211.77790

1.92070

B2U

Infos

# 4

310.55630

0.00000

B2G

Infos

# 5

392.46250

0.00000

B2G

Infos

# 6

392.59950

12.26350

B3U

Infos

# 7

404.47290

0.00000

B1G

Infos

# 8

406.00170

0.00000

AG

Infos

# 9

561.78820

0.00000

B3G

Infos

# 10

576.68110

0.00000

AU

Infos

# 11

581.86820

0.00000

B3G

Infos

# 12

610.74230

0.17240

B1U

Infos

# 13

665.94120

0.00000

B2G

Infos

# 14

671.66390

186.63050

B3U

Infos

# 15

673.95430

0.00000

B1G

Infos

# 16

703.47290

0.69400

B2U

Infos

# 17

763.75640

0.00000

AG

Infos

# 18

766.43000

0.00000

AU

Infos

# 19

776.01740

0.00000

B1G

Infos

# 20

800.32860

0.00000

AU

Infos

# 21

870.86510

20.31290

B3U

Infos

# 22

872.13490

0.00000

B2G

Infos

# 23

890.81520

0.00000

B1G

Infos

# 24

890.89060

0.00000

AU

Infos

# 25

965.34620

228.70300

B1U

Infos

# 26

975.37490

0.00000

B3G

Infos

# 27

981.84670

0.00000

AG

Infos

# 28

986.68240

17.98810

B1U

Infos

# 29

1056.68160

1.19960

B2U

Infos

# 30

1074.73190

2.66370

B2U

Infos

# 31

1098.07240

0.00000

B3G

Infos

# 32

1133.61630

0.00000

AG

Infos

# 33

1141.69860

0.06690

B1U

Infos

# 34

1180.74230

0.00000

AG

Infos

# 35

1262.12520

32.60990

B2U

Infos

# 36

1285.75830

0.00000

B3G

Infos

# 37

1322.02670

116.37710

B1U

Infos

# 38

1374.95890

18.72710

B2U

Infos

# 39

1388.62630

0.00000

AG

Infos

# 40

1413.48020

23.30210

B1U

Infos

# 41

1459.83700

0.00000

B3G

Infos

# 42

1468.45440

0.16110

B2U

Infos

# 43

1506.68110

0.00000

AG

Infos

# 44

1530.56550

177.28170

B1U

Infos

# 45

1589.05660

0.00000

B3G

Infos

# 46

1669.18320

0.00000

AG

Infos

# 47

3131.49210

10.37740

B2U

Infos

# 48

3132.33060

0.00000

B3G

Infos

# 49

3139.20750

0.00000

B1U

Infos

# 50

3141.69970

0.00000

AG

Infos

# 51

3153.25540

0.00000

B3G

Infos

# 52

3154.41070

187.29720

B2U

Infos

# 53

3171.44580

172.77720

B1U

Infos

# 54

3173.11360

0.00000

AG

Infos