WebMO Job Summary
514848: C5H12 2-methylbutane, Coordinate Scan - Gaussian
Raw Output
Save Notes
Calculated Quantities
Expand all
Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) OPT(AddRedundant) NOSYMMETRY Geom=Connectivity
Stoichiometry
C
5
H
12
Symmetry
C1
Basis
6-31G(d)
RB3LYP Energy
-197.762958079 Hartree
Dipole Moment
0.1078 Debye
Server
batch (527888)
CPU time
28512.6 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
6.8175035
0.22740743865
b
3.4809571
0.11611223055
c
2.6553135
0.08857172451
Coordinate Scan
Coordinate
Energy
0.000175
-197.762962
3.600176
-197.763164
7.200221
-197.763503
10.800204
-197.763961
14.400196
-197.764516
18.000110
-197.765147
21.600137
-197.765828
25.200177
-197.766536
28.800192
-197.767247
32.400182
-197.76794
36.000096
-197.768596
39.600080
-197.769199
43.199907
-197.769734
46.799931
-197.77019
50.399932
-197.770557
53.999876
-197.770834
57.599891
-197.771019
61.199932
-197.771115
64.799826
-197.771125
68.399872
-197.771054
71.999826
-197.770906
75.599808
-197.770685
79.199840
-197.770394
82.799822
-197.770041
86.399880
-197.769634
89.999868
-197.76919
93.599828
-197.768731
97.199890
-197.768279
100.799885
-197.767859
104.400017
-197.76749
108.000059
-197.767193
111.600200
-197.766981
115.200214
-197.766864
118.800196
-197.766848
122.400173
-197.766933
126.000168
-197.767114
129.600157
-197.767381
133.200190
-197.767722
136.800156
-197.76812
140.400167
-197.768554
144.000142
-197.769001
147.600187
-197.76944
151.200155
-197.769854
154.800154
-197.770226
158.400148
-197.770543
162.000156
-197.770798
165.600153
-197.770984
169.200176
-197.771096
172.800153
-197.771131
176.400123
-197.771081
-179.999912
-197.770942
-176.399981
-197.770708
-172.799968
-197.770379
-169.200047
-197.769957
-165.599983
-197.769447
-161.999992
-197.76886
-158.399994
-197.768207
-154.800062
-197.767509
-151.200083
-197.766784
-147.599981
-197.766054
-144.000064
-197.765345
-140.399924
-197.764681
-136.799840
-197.764089
-133.199781
-197.763594
-129.599935
-197.76322
-125.999790
-197.762985
-122.399786
-197.762904
-118.799780
-197.762979
-115.199764
-197.763205
-111.599778
-197.763567
-107.999788
-197.764044
-104.399811
-197.76461
-100.799852
-197.765238
-97.199846
-197.765898
-93.599847
-197.766562
-89.999834
-197.767206
-86.399844
-197.767806
-82.799827
-197.768341
-79.199804
-197.768795
-75.599810
-197.769157
-71.999829
-197.769424
-68.399889
-197.769597
-64.799808
-197.76968
-61.200023
-197.769676
-57.600059
-197.769586
-54.000175
-197.76941
-50.400123
-197.769144
-46.800174
-197.76879
-43.200166
-197.768349
-39.600151
-197.767828
-36.000152
-197.767241
-32.400142
-197.766606
-28.800142
-197.765949
-25.200181
-197.765294
-21.600223
-197.764668
-18.000069
-197.7641
-14.400027
-197.763616
-10.799914
-197.763243
-7.199825
-197.763001
-3.599795
-197.762904
0.000205
-197.762958
Animation speed
Loop
None
Loop
Cycle
Quote
PATIENCE IS THE ABILITY TO IDLE YOUR MOTOR WHEN YOU FEEL LIKE STRIPPING YOUR GEARS.