Charge: -1
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-1
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)
0.72500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00167
0.02060
2
0.00000
0.00167
0.02060
3
0.00000
-0.00118
0.01333
4
0.00000
0.00118
0.01333
5
0.00000
-0.03500
-0.00829
6
0.00000
0.03500
-0.00829
7
0.00000
-0.04855
0.01412
8
0.00000
0.04855
0.01412
9
0.00000
-0.01286
-0.00423
10
0.00000
0.01286
-0.00423
11
0.00000
0.01799
0.00974
12
0.00000
-0.01800
0.00974
13
0.00000
0.00713
0.01200
14
0.00000
-0.00713
0.01200
15
0.00000
-0.00329
-0.02565
16
0.00000
0.00329
-0.02565
17
0.00000
0.01740
-0.00291
18
0.00000
-0.01739
-0.00291
19
0.00000
-0.02367
-0.01871
20
0.00000
0.02367
-0.01871
21
0.00000
-0.00241
-0.25790
22
0.00000
0.00241
-0.25791
23
0.00000
0.19180
0.11846
24
0.00000
-0.19180
0.11846
25
0.00000
-0.05478
0.04831
26
0.00000
0.05479
0.04831
27
0.00000
0.04128
-0.03750
28
0.00000
-0.04128
-0.03750
29
0.00000
0.02473
0.24722
30
0.00000
-0.02473
0.24721
31
0.00000
-0.40880
-0.23758
32
0.00000
0.40879
-0.23758