WebMO Job Summary

Quantity	Value
Route	#N M062X/6-311+G(2d,p) NMR Geom=Connectivity
Stoichiometry	C10H18O
Symmetry	C1
Basis	6-311+G(2d,p)
RM062X Energy	-467.062484951 Hartree
Dipole Moment	3.5092 Debye
Server	batch (127095)
CPU time	3636.8 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.2110611	0.07375305952
b	0.6463473	0.02155982523
c	0.5846767	0.01950271544

Atom	Symbol	Charge
1	C	-0.207317
2	C	-0.353039
3	C	-0.184587
4	C	-0.476651
5	C	0.363174
6	C	-0.476151
7	H	0.177978
8	H	0.176912
9	O	-0.406917
10	H	0.180321
11	H	0.177693
12	H	0.158440
13	H	0.171398
14	C	0.416205
15	C	-0.538412
16	H	0.151572
17	H	0.160177
18	H	0.163084
19	C	-0.575283
20	H	0.159348
21	H	0.163601
22	H	0.167746
23	C	-0.537336
24	H	0.160950
25	H	0.165519
26	H	0.164525
27	H	0.148939
28	H	0.152049
29	H	0.176061

Atom	Symbol	Isotropic	Anisotropy
1	C*	32.6688	23.2875
2	C*	52.4484	33.1697
3	C*	32.1773	23.4646
4	C*	47.1963	37.3455
5	C*	235.8090	234.4867
6	C*	47.3557	35.9258
7	H*	2.2032	7.3653
8	H*	2.3790	8.0938
9	O	-439.4192	1129.6592
10	H*	2.1931	7.4565
11	H*	2.4072	8.0777
12	H*	1.9816	6.5656
13	H*	1.3527	5.7426
14	C*	36.5772	10.8610
15	C*	32.7013	50.5876
16	H*	1.2372	7.8690
17	H*	0.7608	9.2529
18	H*	0.9491	9.6521
19	C*	32.8098	42.3566
20	H*	1.0912	8.0955
21	H*	0.9143	9.4306
22	H*	0.7490	8.8773
23	C*	24.2107	36.8297
24	H*	0.7315	8.5260
25	H*	0.5137	9.4115
26	H*	0.8751	8.5691
27	H*	1.4108	4.3991
28	H*	1.9941	6.8670
29	H*	1.2857	5.3307
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

EVERYTHING'S GOT A MORAL, IF ONLY YOU CAN FIND IT. -- LEWIS CARROL, ALICE IN WONDERLAND