Charge: 0
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
Electronic States
Energy
(eV)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.43400
Diff mu Y
(Debye)
-0.52700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03602
0.00066
0.00000
2
0.05739
-0.00186
0.00000
3
-0.01929
0.02112
0.00000
4
0.00566
0.01376
0.00000
5
-0.02703
-0.02063
0.00000
6
0.02270
-0.03755
0.00000
7
0.02052
-0.01693
0.00000
8
-0.01309
0.01104
0.00000
9
0.01728
0.02492
0.00000
10
-0.00692
-0.01729
0.00000
11
0.01743
-0.00635
0.00000
12
0.01797
0.02631
0.00000
13
0.00921
-0.00235
0.00000
14
0.02329
-0.00922
0.00000
15
-0.00933
-0.01761
0.00000
16
-0.05014
-0.00483
0.00000
17
-0.00263
0.01128
0.00000
18
0.00398
-0.01533
0.00000
19
-0.01680
-0.00686
0.00000
20
0.00258
0.01502
0.00000
21
0.09894
-0.10764
0.00000
22
-0.01587
0.00820
0.00000
23
0.06771
0.18167
0.00000
24
-0.05059
0.02522
0.00000
25
0.12898
0.36701
0.00000
26
0.03224
0.07366
0.00000
27
0.14044
-0.14414
0.00000
28
-0.60856
-0.11690
0.00000
29
-0.20680
-0.05243
0.00000
30
0.13228
-0.15393
0.00000
31
0.02117
0.09337
0.00000
32
0.06025
0.21503
0.00000