Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
1.15300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00616
0.01592
2
0.00000
0.00617
0.01592
3
0.00000
-0.02113
0.02838
4
0.00000
0.02113
0.02838
5
0.00000
0.03467
-0.04841
6
0.00000
-0.03467
-0.04841
7
0.00000
-0.01763
0.00719
8
0.00000
0.01763
0.00718
9
0.00000
0.10815
0.02005
10
0.00000
-0.10815
0.02006
11
0.00000
0.01504
-0.03446
12
0.00000
-0.01504
-0.03446
13
0.00000
0.00511
0.00530
14
0.00000
-0.00511
0.00530
15
0.00000
-0.01703
0.02205
16
0.00000
0.01703
0.02206
17
0.00000
0.01335
-0.00274
18
0.00000
-0.01335
-0.00274
19
0.00000
-0.00237
-0.00591
20
0.00000
0.00237
-0.00591
21
0.00000
-0.01819
0.14050
22
0.00000
0.01819
0.14050
23
0.00000
0.00232
-0.04483
24
0.00000
-0.00231
-0.04483
25
0.00000
-0.02656
0.02189
26
0.00000
0.02656
0.02189
27
0.00000
0.45191
-0.16538
28
0.00000
-0.45191
-0.16538
29
0.00000
0.01383
-0.01110
30
0.00000
-0.01383
-0.01110
31
0.00000
-0.04167
-0.02897
32
0.00000
0.04167
-0.02896