WebMO Job Summary
556251: C6H10O hexa-2,4-dien-1-ol, Coordinate Scan - Gaussian
Raw Output
Save Notes
Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) OPT(AddRedundant) NOSYMMETRY Geom=Connectivity
Stoichiometry
C
6
H
10
O
Symmetry
C1
Basis
6-31G(d)
RB3LYP Energy
-309.826628656 Hartree
Dipole Moment
1.3426 Debye
Server
batch (569314)
CPU time
18125.1 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
9.5167572
0.31744485046
b
0.8863725
0.02956620410
c
0.8384015
0.02796606378
Coordinate Scan
Coordinate
Energy
-0.000011
-309.82663
7.199985
-309.826614
14.400084
-309.826696
21.600050
-309.826805
28.800063
-309.826844
36.000075
-309.826721
43.200068
-309.826371
50.400101
-309.825777
57.600016
-309.824962
64.800112
-309.823983
72.000104
-309.822924
79.200106
-309.821891
86.400086
-309.821001
93.600089
-309.82039
100.800092
-309.820208
108.000093
-309.820582
115.200027
-309.821547
122.400030
-309.822988
129.600060
-309.824698
136.800071
-309.826477
144.000035
-309.828168
151.200019
-309.829663
158.400072
-309.830889
165.599975
-309.831798
172.799964
-309.832361
-179.999892
-309.832562
-172.799881
-309.832395
-165.599933
-309.831865
-158.399931
-309.830987
-151.199934
-309.829788
-143.999890
-309.828312
-136.799930
-309.82663
-129.599891
-309.824847
-122.399924
-309.823118
-115.199890
-309.821645
-107.999935
-309.820642
-100.799962
-309.820242
-93.599889
-309.820418
-86.400068
-309.821043
-79.199965
-309.821962
-72.000021
-309.823037
-64.800021
-309.824145
-57.600073
-309.825181
-50.400121
-309.826054
-43.200154
-309.826699
-36.000056
-309.827084
-28.799953
-309.827217
-21.599919
-309.827149
-14.399920
-309.826963
-7.199882
-309.82676
0.000121
-309.826629
Animation speed
Loop
None
Loop
Cycle
Quote
The mind is not a vessel to be filled but a fire to be kindled. -- Plutarch