WebMO Job Summary
3328: C10H6 reSE geometry, Molecular Energy - Gaussian
Raw Output
Save Notes
Calculated Quantities
Expand all
Overview
Quantity
Value
Route
#N B3LYP/6-311+G(2d,p) SP
Method
B3LYP
Stoichiometry
C
10
H
6
Symmetry
C2V
Basis
6-311+G(2d,p)
RB3LYP Energy
-384.652225318 Hartree
Dipole Moment
0.6251 Debye
Server
batch (505949)
CPU time
160 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
2.7032579
0.09017097755
b
0.9098480
0.03034926249
c
0.6807312
0.02270674868
Partial Charges
Atom
Symbol
Charge
1
C
-0.478037
2
H
0.110405
3
C
0.344089
4
C
-0.483932
5
C
-0.099226
6
C
-0.483932
7
C
0.344089
8
C
0.600491
9
C
-0.523488
10
H
0.146143
11
H
0.103893
12
H
0.092463
13
H
0.103893
14
C
0.600491
15
C
-0.523488
16
H
0.146143
Quote
ALTHOUGH J.J. COULD DIAGNOSE THE FAULTS OF AN APPARATUS WITH UNCANNY ACCURACY, IT WAS JUST AS WELL NOT TO LET HIM HANDLE IT. -- GEORGE THOMPSON, ABOUT HIS FATHER