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)
0.59300
Diff mu Y
(Debye)
0.55100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04018
0.02540
0.00000
2
-0.02456
0.00120
0.00000
3
-0.06594
-0.01833
0.00000
4
0.00135
-0.06311
0.00000
5
-0.00292
0.04982
0.00000
6
0.03539
0.00282
0.00000
7
0.05397
-0.00710
0.00000
8
0.04226
0.09043
0.00000
9
-0.03027
-0.08732
0.00000
10
0.01181
0.00705
0.00000
11
0.02990
-0.01902
0.00000
12
-0.04233
-0.01251
0.00000
13
0.02922
0.03077
0.00000
14
-0.05012
-0.01701
0.00000
15
-0.05736
-0.00580
0.00000
16
0.04530
0.07702
0.00000
17
-0.02447
-0.04209
0.00000
18
-0.01900
0.03294
0.00000
19
0.03645
-0.01628
0.00000
20
-0.02703
0.00490
0.00000
21
0.04856
0.23691
0.00000
22
0.02411
0.04014
0.00000
23
-0.05742
-0.26616
0.00000
24
0.01380
0.05874
0.00000
25
0.13693
0.03127
0.00000
26
0.04134
-0.11696
0.00000
27
0.03699
-0.13617
0.00000
28
-0.06213
-0.24227
0.00000
29
0.04700
-0.03425
0.00000
30
0.08986
-0.09769
0.00000