WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C6H10O
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-309.843008448 Hartree
ZPE	0.146027 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-309.689884 Hartree
Enthalpy	-309.688940 Hartree
Free Energy	-309.728866 Hartree
Cv	24.896 cal/mol-K
Entropy	84.032 cal/mol-K
Dipole Moment	2.4762 Debye
Server	default (2766595)
CPU time	640.5 sec

Step	Energy
0	-309.830721769
1	-309.842134734
2	-309.842948323
3	-309.843006233
4	-309.843008355
5	-309.843008448
6	-309.843008448
7	-309.843008448
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	17.78014	0.59308163116
b	0.78550	0.02620145968
c	0.76282	0.02544493631

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A"	-120.6769	0.4070
2	A"	-82.1031	11.5544
3	A"	75.1819	0.4394
4	A'	108.4696	2.6153
5	A"	122.8152	0.0237
6	A'	279.6144	3.1324
7	A'	324.8168	0.0457
8	A'	466.4019	2.6958
9	A"	567.0397	10.3243
10	A'	568.0490	13.9996
11	A"	670.0903	3.4733
12	A"	779.1180	0.0000
13	A'	918.8342	3.6734
14	A"	924.1981	8.3569
15	A"	940.2314	23.6203
16	A'	1021.7974	30.7836
17	A"	1026.7982	12.7636
18	A'	1066.9072	14.4146
19	A'	1072.1011	10.3759
20	A"	1114.9188	0.0163
21	A'	1160.0067	2.7949
22	A"	1193.9229	0.1756
23	A'	1264.8441	14.8097
24	A"	1305.6473	0.5267
25	A'	1338.1207	4.0278
26	A"	1346.1526	0.0889
27	A'	1355.3927	1.7915
28	A'	1418.0937	0.1719
29	A'	1444.1926	4.2754
30	A'	1473.8831	1.6606
31	A'	1477.8046	7.7810
32	A'	1506.8808	1.3638
33	A'	1530.8947	2.0344
34	A'	1728.5560	4.9392
35	A'	1834.5942	181.6507
36	A'	2880.9308	113.5267
37	A'	3019.3981	1.0155
38	A'	3026.5377	28.8326
39	A'	3037.1156	30.6245
40	A"	3041.4848	1.3683
41	A"	3059.9459	12.4956
42	A"	3078.3095	51.9737
43	A'	3139.4381	19.8261
44	A'	3154.7571	7.4425
45	A'	3234.0890	19.8110
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

IF GOD HAD MEANT MAN TO SEE THE SUN RISE, HE WOULD HAVE SCHEDULED IT FOR A LATER HOUR.