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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
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)
-2.18100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00107
-0.03588
2
0.00000
0.00107
-0.03588
3
0.00000
-0.04352
0.01269
4
0.00000
0.04352
0.01269
5
0.00000
0.01493
0.03960
6
0.00000
-0.01493
0.03960
7
0.00000
0.01682
0.01269
8
0.00000
-0.01682
0.01269
9
0.00000
-0.08026
0.00562
10
0.00000
0.08026
0.00562
11
0.00000
0.04263
-0.01479
12
0.00000
-0.04263
-0.01479
13
0.00000
0.05263
-0.07299
14
0.00000
-0.05263
-0.07299
15
0.00000
-0.03694
0.08890
16
0.00000
0.03694
0.08890
17
0.00000
0.00311
-0.02324
18
0.00000
-0.00311
-0.02324
19
0.00000
-0.01963
0.00337
20
0.00000
0.01963
0.00337
21
0.00000
-0.04277
-0.17080
22
0.00000
0.04277
-0.17080
23
0.00000
-0.10519
-0.10696
24
0.00000
0.10519
-0.10696
25
0.00000
-0.14482
0.03044
26
0.00000
0.14482
0.03044
27
0.00000
0.09185
-0.09790
28
0.00000
-0.09185
-0.09790
29
0.00000
0.00412
0.12150
30
0.00000
-0.00412
0.12150
31
0.00000
0.03161
0.03353
32
0.00000
-0.03161
0.03353