Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.72189
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.36100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06265
0.00001
0.00000
2
0.07802
-0.04599
0.00000
3
0.07807
0.04598
0.00000
4
0.07800
0.04592
0.00000
5
0.07805
-0.04591
0.00000
6
-0.06268
-0.00001
0.00000
7
-0.03242
0.00342
0.00000
8
-0.01376
-0.00600
0.00000
9
-0.01374
0.00601
0.00000
10
-0.03241
-0.00341
0.00000
11
-0.03244
-0.00343
0.00000
12
-0.01376
0.00601
0.00000
13
-0.01374
-0.00602
0.00000
14
-0.03242
0.00343
0.00000
15
-0.06183
0.00020
0.00000
16
-0.03474
-0.32217
0.00000
17
0.05936
-0.03677
0.00000
18
0.05930
0.03672
0.00000
19
-0.03472
0.32202
0.00000
20
-0.03472
0.32205
0.00000
21
0.05939
0.03680
0.00000
22
0.05934
-0.03675
0.00000
23
-0.03470
-0.32190
0.00000
24
-0.06187
-0.00020
0.00000