Charge: -1
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q-1
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.43700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04238
0.05449
2
0.00000
-0.04235
-0.05449
3
0.00000
0.05498
-0.10334
4
0.00000
0.05497
0.10334
5
0.00000
0.02212
0.02197
6
0.00000
0.02211
-0.02197
7
0.00000
-0.00385
0.10059
8
0.00000
-0.00385
-0.10060
9
0.00000
0.00875
-0.02834
10
0.00000
0.00877
0.02834
11
0.00000
-0.03752
0.00062
12
0.00000
-0.03754
-0.00060
13
0.00000
-0.02599
0.00601
14
0.00000
-0.02601
-0.00602
15
0.00000
0.02139
0.01096
16
0.00000
0.02141
-0.01098
17
0.00000
0.02217
-0.03875
18
0.00000
0.02218
0.03877
19
0.00000
-0.02804
-0.01583
20
0.00000
-0.02807
0.01583
21
0.00000
0.02417
0.00557
22
0.00000
0.02419
-0.00553
23
0.00000
-0.08039
-0.02276
24
0.00000
-0.08034
0.02274
25
0.00000
0.05248
-0.03708
26
0.00000
0.05255
0.03712
27
0.00000
-0.05212
0.00383
28
0.00000
-0.05214
-0.00386
29
0.00000
0.03258
0.17292
30
0.00000
0.03259
-0.17300
31
0.00000
0.12298
0.06876
32
0.00000
0.12304
-0.06881