WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C5H10O
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-271.772732474 Hartree
ZPE	0.142151 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-271.623024 Hartree
Enthalpy	-271.622080 Hartree
Free Energy	-271.662511 Hartree
Cv	25.414 cal/mol-K
Entropy	85.093 cal/mol-K
Dipole Moment	2.5407 Debye
Server	batch (526657)
CPU time	576.3 sec

Step	Energy
0	-271.770290159
1	-271.772681108
2	-271.772728349
3	-271.772732474
4	-271.772732474
5	-271.772732474
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	10.32572	0.34442894491
b	1.45188	0.04842950385
c	1.31397	0.04382932142

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A"	70.6306	1.9254
2	A"	110.6437	0.9412
3	A'	139.0149	4.9708
4	A"	178.6486	0.7945
5	A"	248.8606	0.0002
6	A'	293.8963	4.3144
7	A'	395.1415	1.9938
8	A"	677.5821	2.7488
9	A'	691.7497	12.4638
10	A"	752.9404	2.0940
11	A"	862.6642	0.0238
12	A'	897.4385	13.6243
13	A'	924.8589	0.5171
14	A"	985.2427	1.3442
15	A'	1042.9710	2.5467
16	A'	1075.2973	1.2689
17	A'	1143.3862	10.7552
18	A"	1169.7411	0.0070
19	A"	1251.2063	0.0031
20	A'	1295.8305	2.1212
21	A"	1323.6552	0.0791
22	A"	1343.2280	0.1894
23	A'	1385.0012	16.3909
24	A'	1424.0580	3.9776
25	A'	1437.4848	8.9274
26	A'	1442.3588	2.2632
27	A'	1480.1624	14.4195
28	A'	1514.9249	1.3872
29	A'	1524.8820	0.4810
30	A"	1529.5804	6.0392
31	A'	1540.4939	4.9567
32	A'	1832.9159	139.9861
33	A'	2890.8499	166.0595
34	A'	3008.9536	19.2256
35	A'	3022.1472	30.7387
36	A"	3031.7265	10.4234
37	A'	3043.2248	19.7890
38	A"	3048.1932	9.9693
39	A'	3052.0192	37.3931
40	A"	3089.8259	23.9329
41	A"	3109.8919	66.2008
42	A'	3113.6285	40.3158
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

0EVERYBODY IS IGNORANT, ONLY ON DIFFERENT SUBJECTS.0 WILL ROGERS