Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
1.33100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.04681
2
0.00000
0.00000
0.01909
3
-0.01491
0.00000
0.01470
4
0.01491
0.00000
0.01470
5
-0.07500
0.00000
0.02479
6
0.07500
0.00000
0.02479
7
0.00703
0.00000
0.04958
8
-0.00703
0.00000
0.04958
9
-0.00171
0.00000
-0.09537
10
0.00171
0.00000
-0.09537
11
-0.02616
0.00000
-0.00762
12
0.02616
0.00000
-0.00762
13
0.36823
0.00000
0.06152
14
-0.36823
0.00000
0.06152
15
0.05797
0.00000
-0.02433
16
-0.05797
0.00000
-0.02433
17
0.19561
0.00000
0.26748
18
-0.19561
0.00000
0.26748
19
0.02301
0.00000
0.02623
20
-0.02301
0.00000
0.02623