Charge: -1
Inchi:1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/q-1
Electronic States
Energy
(eV)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.23600
Diff mu Y
(Debye)
-0.35200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07353
-0.04127
0.00000
2
-0.04575
-0.02582
0.00000
3
-0.05557
0.01104
0.00000
4
0.04313
0.01067
0.00000
5
0.03031
-0.02996
0.00000
6
-0.01831
-0.01796
0.00000
7
0.03626
0.06686
0.00000
8
0.10196
0.00694
0.00000
9
0.05377
-0.00661
0.00000
10
0.00766
0.00739
0.00000
11
-0.03796
0.02269
0.00000
12
-0.09863
-0.03197
0.00000
13
-0.01117
0.00763
0.00000
14
-0.01270
0.04495
0.00000
15
0.07152
0.04744
0.00000
16
-0.03895
-0.00337
0.00000
17
0.01097
-0.07694
0.00000
18
0.03868
0.01404
0.00000
19
-0.10776
-0.16703
0.00000
20
-0.06598
-0.10239
0.00000
21
0.07039
0.04612
0.00000
22
0.00392
-0.00222
0.00000
23
0.14577
0.14271
0.00000
24
-0.01723
0.01579
0.00000
25
-0.01438
0.04712
0.00000
26
-0.17807
0.05185
0.00000
27
0.15364
-0.05050
0.00000
28
-0.04000
-0.00933
0.00000
29
0.01231
-0.07967
0.00000
30
0.01707
0.03899
0.00000