WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C4H10O
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-233.670971233 Hartree
ZPE	0.136280 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-233.528005 Hartree
Enthalpy	-233.527061 Hartree
Free Energy	-233.563638 Hartree
Cv	24.729 cal/mol-K
Entropy	76.982 cal/mol-K
Dipole Moment	1.5113 Debye
Server	batch (390391)
CPU time	117.9 sec

Step	Energy
0	-233.670970972
1	-233.670971233
2	-233.670971233
3	-233.670971233
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	4.68465	0.15626310386
b	4.66071	0.15546455141
c	4.46885	0.14906479068

Atom	Symbol	Charge
1	C	0.303467
2	C	-0.449452
3	H	0.153959
4	H	0.127640
5	H	0.140152
6	C	-0.449452
7	H	0.153959
8	H	0.140152
9	H	0.127640
10	C	-0.436934
11	H	0.151907
12	H	0.151907
13	H	0.136391
14	O	-0.631942
15	H	0.380605

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A"	210.5071	1.9187
2	A"	262.2074	5.5014
3	A'	274.9540	0.0522
4	A"	315.5530	76.6255
5	A'	339.0016	1.3504
6	A"	342.1779	29.3034
7	A'	413.3154	0.4465
8	A'	459.4760	8.9777
9	A"	465.4349	12.8004
10	A'	750.0746	2.0384
11	A"	917.1352	0.0000
12	A'	931.4388	3.6068
13	A'	941.6165	36.6360
14	A"	971.3392	0.0021
15	A'	1040.5920	11.0865
16	A"	1057.8959	1.8551
17	A'	1175.6973	53.8848
18	A'	1256.3174	50.2392
19	A"	1273.1499	26.2671
20	A'	1387.8566	34.9396
21	A"	1424.8469	9.3277
22	A'	1431.9606	21.1873
23	A'	1453.0859	2.2914
24	A"	1504.3521	0.0096
25	A"	1512.0130	0.0413
26	A'	1516.3177	0.0064
27	A"	1528.2318	2.3181
28	A'	1535.1444	4.3186
29	A'	1546.5492	6.2927
30	A"	3035.4813	17.0559
31	A'	3041.1108	36.1172
32	A'	3058.6846	8.1139
33	A"	3098.0227	3.1777
34	A'	3105.3635	62.6894
35	A"	3124.7640	5.0895
36	A'	3125.4755	4.5752
37	A"	3132.5401	40.6505
38	A'	3133.3733	57.4251
39	A'	3726.8613	4.0314
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

YOU KNOW YOU'VE SPOKEN TOO LONG WHEN THE AUDIENCE STOPS LOOKING AT THEIR WATCHES AND STARTS SHAKING THEM.