Charge: 1
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+1
Electronic States
Energy
(eV)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.07500
Diff mu Y
(Debye)
-0.26300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06545
-0.04808
0.00000
2
0.03724
-0.02539
0.00000
3
0.00652
0.05273
0.00000
4
-0.10643
0.01833
0.00000
5
-0.12980
0.01536
0.00000
6
0.01707
0.05889
0.00000
7
-0.00384
-0.02831
0.00000
8
0.02962
0.01425
0.00000
9
0.03670
0.01777
0.00000
10
-0.00863
-0.02947
0.00000
11
0.00165
-0.03069
0.00000
12
0.03539
0.03081
0.00000
13
0.05276
0.04418
0.00000
14
-0.01033
-0.02554
0.00000
15
-0.02179
-0.00682
0.00000
16
0.00992
-0.01337
0.00000
17
0.00861
-0.01014
0.00000
18
-0.00035
0.02051
0.00000
19
-0.02195
0.00901
0.00000
20
-0.00095
-0.03897
0.00000
21
-0.06680
0.04397
0.00000
22
0.04847
0.07792
0.00000
23
0.05567
0.08216
0.00000
24
-0.05330
0.02046
0.00000
25
-0.06502
-0.27366
0.00000
26
-0.06478
-0.32425
0.00000
27
0.00786
-0.05139
0.00000
28
-0.07307
-0.03523
0.00000
29
0.14482
0.05081
0.00000
30
0.04187
-0.01832
0.00000
31
0.01342
-0.00164
0.00000
32
0.04827
0.13091
0.00000