WebMO Job Summary

Quantity	Value
Route	#N MP2/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry	C6H14O
Symmetry	C1
Basis	6-311+G(2d,p)
RHF Energy	-310.312419234 Hartree
MP2 Energy	-311.49353474862 Hartree
ZPE	0.195210 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-311.289192 Hartree
Enthalpy	-311.288248 Hartree
Free Energy	-311.331427 Hartree
Cv	33.716 cal/mol-K
Entropy	90.878 cal/mol-K
Dipole Moment	2.0883 Debye
Server	batch (154362)
CPU time	136068.3 sec

Step	Energy
0	-310.304764235
1	-310.311942955
2	-310.311384598
3	-310.312005006
4	-310.312163463
5	-310.312015930
6	-310.312096166
7	-310.312277600
8	-310.312377935
9	-310.312407503
10	-310.312417793
11	-310.312419234
12	-310.312419234
13	-310.312419234
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	4.42543	0.14761645538
b	1.50399	0.05016770635
c	1.22185	0.04075652897

Atom	Symbol	Charge
1	C	-0.515987
2	C	0.208147
3	C	-0.229695
4	C	0.424503
5	C	-0.602331
6	H	0.118296
7	H	0.117690
8	H	0.125505
9	C	-0.558820
10	H	0.126101
11	H	0.132667
12	H	0.110582
13	H	0.070586
14	H	0.105052
15	H	0.130224
16	O	-0.485065
17	H	0.275980
18	H	0.071755
19	H	0.117637
20	H	0.129184
21	H	0.127989

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	72.2445	0.2359
2	A	114.8885	1.2031
3	A	186.7127	0.8843
4	A	246.3585	3.5645
5	A	251.9469	20.0985
6	A	270.5586	19.1171
7	A	312.3713	24.9233
8	A	324.8377	5.2671
9	A	355.2715	17.0506
10	A	404.0435	2.4351
11	A	431.5838	1.1881
12	A	497.1521	2.5434
13	A	509.3478	7.0741
14	A	817.2385	0.4696
15	A	867.5033	7.3261
16	A	888.9904	0.9061
17	A	936.0687	1.8828
18	A	954.0374	12.8963
19	A	978.8735	1.4035
20	A	995.4161	13.1816
21	A	1052.6732	3.1482
22	A	1067.7235	37.7159
23	A	1127.6799	1.5331
24	A	1165.5732	24.5514
25	A	1193.1854	8.5196
26	A	1209.6245	3.3221
27	A	1268.4967	13.5179
28	A	1282.8547	39.0952
29	A	1313.3999	2.0023
30	A	1371.6746	2.6692
31	A	1383.3880	4.6365
32	A	1394.6991	5.0643
33	A	1413.0004	4.5481
34	A	1419.3170	16.4116
35	A	1433.4344	15.4039
36	A	1446.0709	15.4199
37	A	1488.6009	2.4606
38	A	1512.9622	3.2835
39	A	1518.3493	3.7620
40	A	1521.8252	5.5278
41	A	1527.4783	4.0669
42	A	1532.3847	5.3925
43	A	1550.6561	12.0333
44	A	3011.2560	32.4036
45	A	3039.1073	4.5351
46	A	3043.4777	28.0187
47	A	3045.4879	19.9915
48	A	3052.8694	26.8002
49	A	3069.7740	16.0474
50	A	3096.3389	20.2393
51	A	3126.2893	21.5714
52	A	3132.5224	13.0606
53	A	3135.4843	41.6885
54	A	3143.0191	28.8467
55	A	3157.7574	19.8664
56	A	3166.4742	16.6265
57	A	3856.7728	47.3639
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

THE REASON MAN'S BEST FRIEND IS A DOG IS BECAUSE HE WAGS HIS TAIL INSTEAD OF HIS TONGUE.