Charge: 2
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+2
Electronic States
Energy
(eV)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.04300
Diff mu Y
(Debye)
0.17300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00275
-0.00722
0.00000
2
-0.04384
-0.01940
0.00000
3
0.01358
-0.04527
0.00000
4
-0.04059
-0.01873
0.00000
5
0.02382
0.06468
0.00000
6
-0.04211
-0.01293
0.00000
7
0.00925
-0.06304
0.00000
8
-0.02864
-0.06297
0.00000
9
0.01401
0.09942
0.00000
10
-0.03450
0.07650
0.00000
11
-0.00159
-0.03952
0.00000
12
0.06675
0.01479
0.00000
13
0.01025
0.05895
0.00000
14
0.07114
-0.01468
0.00000
15
0.00874
0.02299
0.00000
16
0.09833
0.00496
0.00000
17
-0.02066
-0.03988
0.00000
18
-0.04770
-0.04460
0.00000
19
-0.03648
0.00414
0.00000
20
-0.02945
0.01516
0.00000
21
0.02328
-0.08019
0.00000
22
-0.04317
-0.10481
0.00000
23
0.02368
0.12906
0.00000
24
-0.08517
0.13397
0.00000
25
0.09130
0.08664
0.00000
26
0.00997
0.05503
0.00000
27
0.12016
-0.07199
0.00000
28
0.10450
0.00594
0.00000
29
-0.00306
0.01183
0.00000
30
-0.04008
-0.05297
0.00000
31
-0.01548
-0.01754
0.00000
32
-0.03790
-0.01600
0.00000