WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C4H10O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-233.667144749 Hartree
ZPE	0.137171 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-233.523247 Hartree
Enthalpy	-233.522303 Hartree
Free Energy	-233.559535 Hartree
Cv	23.713 cal/mol-K
Entropy	78.361 cal/mol-K
Dipole Moment	1.5085 Debye
Server	batch (428925)
CPU time	702.5 sec

Step	Energy
0	-233.648153647
1	-233.666012625
2	-233.666964789
3	-233.667137188
4	-233.667143458
5	-233.667144637
6	-233.667144749
7	-233.667144749
8	-233.667144749
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	8.09168	0.26990939178
b	3.42662	0.11429973999
c	2.66062	0.08874873030

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	113.8202	2.0973
2	A	225.5904	1.2364
3	A	240.0261	1.3975
4	A	256.8836	4.9299
5	A	300.5108	109.8036
6	A	373.6313	5.4735
7	A	461.2731	8.1593
8	A	492.3781	3.4548
9	A	783.1137	1.0411
10	A	827.3373	0.7377
11	A	930.3257	24.5650
12	A	993.1182	5.8927
13	A	1017.8290	17.9478
14	A	1051.3803	17.8293
15	A	1095.1973	28.0114
16	A	1170.3584	3.1536
17	A	1180.4944	35.8445
18	A	1274.1296	26.5488
19	A	1337.1336	14.7910
20	A	1356.8535	16.1025
21	A	1403.3230	10.0290
22	A	1434.7978	9.4404
23	A	1437.1348	1.2512
24	A	1450.5627	10.8021
25	A	1506.8889	0.4598
26	A	1523.5149	3.2564
27	A	1527.1521	5.0602
28	A	1528.0761	4.0609
29	A	1540.2841	4.5899
30	A	2962.2897	59.7272
31	A	3036.0557	15.5790
32	A	3041.1503	39.1922
33	A	3047.5284	26.2353
34	A	3074.5488	21.4990
35	A	3101.5216	36.3222
36	A	3108.2483	45.7778
37	A	3122.5083	36.4200
38	A	3140.4218	27.9849
39	A	3743.8256	7.8403
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

IT IS IMPOSSIBLE TO MEDITATE ON TIME AND THE MYSTERY OF NATURE WITHOUT AN OVERWHELMING EMOTION AT THE LIMITATIONS OF HUMAN INTELLIGENCE. -- ALFRED NORTH WHITEHEAD