WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) NMR Geom=Connectivity
Stoichiometry	C10H16O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-465.889696415 Hartree
Dipole Moment	3.4824 Debye
Server	batch (526838)
CPU time	365.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	3.3955779	0.11326428699
b	0.3468110	0.01156836974
c	0.3242215	0.01081486513

Atom	Symbol	Isotropic	Anisotropy
1	C*	26.3539	40.1956
2	C*	127.7962	147.6613
3	C*	17.3948	23.2863
4	H*	1.9797	6.1419
5	H*	1.3690	8.1406
6	H*	1.3707	7.4561
7	C*	120.4483	104.5448
8	C*	30.3262	17.9326
9	C*	45.0479	39.3656
10	C*	158.0726	193.9349
11	C*	18.9476	26.5461
12	H*	3.8761	9.7535
13	H*	1.7566	5.7765
14	H*	1.2406	5.9055
15	C*	117.9890	93.1401
16	C*	178.4940	139.7399
17	O	-276.5487	984.3312
18	H*	9.7098	3.9045
19	H*	5.7806	7.3230
20	H*	2.1031	3.3663
21	H*	2.0111	5.0266
22	H*	1.7795	5.8981
23	H*	2.5225	5.0414
24	H*	5.3138	6.2752
25	H*	1.5155	6.4735
26	H*	1.6724	7.0342
27	H*	1.6854	7.3698
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

SOME PHYSICISTS WOULD PREFER TO COME BACK TO THE IDEA OF AN OBJECTIVE REAL WORLD WHOSE SMALLEST PARTS EXIST OBJECTIVELY IN THE SAME SENSE AS STONES OR TREES EXIST INDEPENDENTLY OF WHETHER WE OBSERVE THEM. THIS, HOWEVER, IS IMPOSSIBLE. -- WERNER HEISENBERG