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)
1.21100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.05114
-0.00774
2
0.00000
0.05114
0.00774
3
0.00000
-0.03245
0.05730
4
0.00000
-0.03245
-0.05730
5
0.00000
-0.05694
-0.06748
6
0.00000
-0.05694
0.06748
7
0.00000
0.00026
0.00626
8
0.00000
0.00026
-0.00626
9
0.00000
0.01626
0.01890
10
0.00000
0.01627
-0.01890
11
0.00000
-0.00340
-0.01659
12
0.00000
-0.00339
0.01659
13
0.00000
0.01477
0.02095
14
0.00000
0.01477
-0.02095
15
0.00000
0.00397
-0.00567
16
0.00000
0.00397
0.00566
17
0.00000
0.02049
-0.05809
18
0.00000
0.02049
0.05809
19
0.00000
-0.04398
-0.01426
20
0.00000
-0.04398
0.01426
21
0.00000
0.00586
0.05674
22
0.00000
0.00586
-0.05672
23
0.00000
0.06851
0.02846
24
0.00000
0.06850
-0.02845
25
0.00000
0.10992
-0.02763
26
0.00000
0.10993
0.02764
27
0.00000
-0.11201
0.09304
28
0.00000
-0.11202
-0.09305
29
0.00000
0.03139
0.31420
30
0.00000
0.03139
-0.31421
31
0.00000
0.25197
0.15331
32
0.00000
0.25197
-0.15330