WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C5H9O(1+)
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-270.902573447 Hartree
ZPE	0.130555 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-270.764393 Hartree
Enthalpy	-270.763449 Hartree
Free Energy	-270.804464 Hartree
Cv	25.737 cal/mol-K
Entropy	86.325 cal/mol-K
Dipole Moment	1.9113 Debye
Server	batch (527257)
CPU time	521.2 sec

Step	Energy
0	-270.902205137
1	-270.902545408
2	-270.902571820
3	-270.902573447
4	-270.902573447
5	-270.902573447
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	8.85897	0.29550343124
b	1.85034	0.06172069879
c	1.56009	0.05203900093

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A"	25.3674	1.5538
2	A"	117.9351	9.1538
3	A"	182.5318	0.3488
4	A'	190.6855	0.8762
5	A"	203.8317	0.0814
6	A'	385.9554	1.3349
7	A'	434.3387	0.1966
8	A"	571.4677	38.8844
9	A'	577.8489	13.1140
10	A"	650.5207	81.3280
11	A"	813.1098	0.2567
12	A'	906.4945	14.4204
13	A'	961.0013	59.3469
14	A"	983.3875	31.2487
15	A'	1038.9524	0.4613
16	A"	1063.0125	17.8884
17	A"	1085.6147	0.1437
18	A'	1164.2758	5.9064
19	A'	1183.6058	114.6435
20	A'	1307.1217	88.2855
21	A'	1338.9179	84.2635
22	A'	1405.7070	104.8745
23	A'	1414.8712	43.7493
24	A'	1438.1133	56.3617
25	A"	1474.0541	15.7208
26	A'	1483.0395	80.9464
27	A"	1490.2276	18.4035
28	A'	1508.6799	108.4121
29	A'	1569.6730	225.9595
30	A'	1659.4876	488.4032
31	A'	3029.3908	30.1978
32	A'	3042.7547	17.1155
33	A"	3070.2822	1.8530
34	A"	3097.7484	2.4779
35	A'	3164.7111	7.3369
36	A'	3185.5102	1.2422
37	A'	3190.2880	1.3273
38	A'	3227.9539	1.0310
39	A'	3668.7404	239.2296
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

LET US REMEMBER, PLEASE, THAT THE SEARCH FOR THE CONSTITUTION OF THE WORLD IS ONE OF THE GREATEST AND NOBLEST PROBLEMS PRESENTED BY NATURE. -- GALILEO