WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT(AddRedundant) NOSYMMETRY Geom=Connectivity
Stoichiometry	C15H10O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-652.845621975 Hartree
Dipole Moment	3.5787 Debye
Server	batch (498088)
CPU time	104717.6 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.9710970	0.03239230922
b	0.4412906	0.01471986997
c	0.3034124	0.01012074827

Coordinate	Energy
-179.999964	-652.845623
-173.999967	-652.845671
-167.999993	-652.845683
-161.999973	-652.84556
-155.999995	-652.845265
-150.000017	-652.844782
-144.000060	-652.844111
-138.000116	-652.843264
-132.000058	-652.842269
-126.000078	-652.841167
-120.000089	-652.840015
-114.000089	-652.838889
-108.000082	-652.837878
-102.000058	-652.837084
-96.000000	-652.8366
-89.999874	-652.836492
-83.999911	-652.836772
-77.999941	-652.837401
-71.999974	-652.838303
-66.000067	-652.839387
-60.000092	-652.840558
-54.000111	-652.841727
-48.000061	-652.842815
-42.000065	-652.843761
-36.000071	-652.844524
-30.000079	-652.845088
-24.000090	-652.845454
-18.000102	-652.845643
-12.000039	-652.845691
-6.000038	-652.845655
-0.000027	-652.845622
0.000007	-652.845622
6.000044	-652.845656
12.000016	-652.845692
18.000054	-652.845644
24.000025	-652.845454
30.000061	-652.845087
36.000033	-652.844523
42.000012	-652.843759
48.000010	-652.842813
53.999933	-652.841725
59.999971	-652.840557
65.999969	-652.839386
71.999939	-652.838302
77.999974	-652.8374
83.999989	-652.836772
90.000043	-652.836491
96.000136	-652.836599
102.000101	-652.837083
108.000083	-652.837878
114.000068	-652.83889
120.000052	-652.840016
126.000069	-652.841167
132.000061	-652.842269
138.000027	-652.843263
143.999992	-652.84411
149.999943	-652.844782
155.999893	-652.845266
161.999933	-652.845561
168.000013	-652.845683
173.999984	-652.845671
Animation speed
Loop	None Loop Cycle

THOSE WHO TRY TO PASS CHEMISTRY OFF AS A NEW SCIENCE SHOW HOW LITTLE KNOWLEDGE THEY HAVE OF THE CHARACTER AND LITERATURE OF THE ANCIENTS. -- NICOLAS LEFEVRE "COURS DE CHYMIE" J.-N.LELOUP, PARIS, 1751