WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C5H10O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-271.74774401 Hartree
ZPE	0.142143 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-271.597752 Hartree
Enthalpy	-271.596808 Hartree
Free Energy	-271.637511 Hartree
Cv	26.753 cal/mol-K
Entropy	85.667 cal/mol-K
Dipole Moment	1.7345 Debye
Server	batch (526658)
CPU time	991.8 sec

Step	Energy
0	-271.745287622
1	-271.747657798
2	-271.747734778
3	-271.747743242
4	-271.747744010
5	-271.747744010
6	-271.747744010
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	16.10927	0.53734740719
b	1.20145	0.04007605822
c	1.19055	0.03971247335

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	79.7361	0.0850
2	A	97.0104	0.5015
3	A	151.2816	56.5247
4	A	209.9839	57.0711
5	A	247.3294	0.0243
6	A	311.0651	7.2045
7	A	325.4664	3.5079
8	A	396.7034	8.3146
9	A	573.6202	15.1780
10	A	753.1429	2.2833
11	A	817.8204	0.6495
12	A	882.2915	0.9459
13	A	903.3168	7.0923
14	A	961.4155	34.0921
15	A	1019.6398	0.9198
16	A	1054.6242	0.7370
17	A	1121.1324	2.9543
18	A	1144.6523	55.1006
19	A	1169.4867	49.9834
20	A	1230.5163	132.8983
21	A	1279.6232	44.5377
22	A	1318.1428	7.7309
23	A	1338.7865	0.2280
24	A	1366.9608	42.6418
25	A	1390.0951	6.1417
26	A	1417.1475	3.7807
27	A	1439.5877	1.2432
28	A	1510.3257	1.5886
29	A	1522.9023	0.2648
30	A	1529.3900	6.0565
31	A	1539.2826	3.5821
32	A	1779.6385	76.7352
33	A	3001.7975	33.7614
34	A	3032.8994	22.5740
35	A	3039.4306	29.9457
36	A	3043.1455	30.9498
37	A	3069.8563	23.1750
38	A	3104.6830	66.0185
39	A	3110.5367	43.1457
40	A	3150.0540	26.6484
41	A	3165.7584	17.9296
42	A	3793.1078	63.5588
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

SIC AS THE CAWSE OF EWERY THING IS, SIC WILBE THE EFFECT. -- PROVERBS AND REASONS OF THE YEAR 1585 AS REPRINTED IN PAISLEY MAGAZINE 1828.