WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) NMR
Method	B3LYP
Stoichiometry	C10H18O
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-467.26100616 Hartree
Dipole Moment	1.4480 Debye
Server	class (263411)
CPU time	2199.2 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.4790050	0.04933429646
b	1.1098877	0.03702186864
c	1.0420120	0.03475777900

Atom	Symbol	Charge
1	C	-0.254927
2	C	-0.595846
3	C	0.893859
4	C	-0.020604
5	C	-0.413976
6	C	-0.069220
7	C	0.138952
8	C	-0.438259
9	H	0.120406
10	H	0.129363
11	H	0.124281
12	C	-0.423267
13	H	0.124080
14	H	0.127830
15	H	0.126841
16	H	0.064907
17	H	0.107128
18	H	0.104254
19	H	0.069773
20	O	-0.491657
21	H	0.269020
22	C	-0.494059
23	H	0.118192
24	H	0.142861
25	H	0.124587
26	H	0.127997
27	H	0.094429
28	H	0.099575
29	H	0.093480

Atom	Symbol	Isotropic	Anisotropy
1	C*	31.8560	24.8634
2	C*	29.1496	41.2993
3	C*	56.3536	33.0985
4	C*	83.0092	38.2225
5	C*	44.1924	25.2830
6	C*	51.7839	41.0624
7	C*	55.8376	19.1049
8	C*	20.3224	35.2544
9	H*	0.9455	8.7111
10	H*	0.7890	8.6702
11	H*	0.7508	10.0176
12	C*	21.3531	37.0599
13	H*	0.6803	10.0490
14	H*	0.7677	8.8609
15	H*	1.1664	8.7576
16	H*	1.5276	8.9309
17	H*	2.2002	8.2724
18	H*	0.9467	8.2389
19	H*	4.1795	3.8073
20	O	267.5198	35.7109
21	H*	0.3792	18.8676
22	C*	14.9317	30.9176
23	H*	0.6865	9.6536
24	H*	1.3514	9.5848
25	H*	0.6266	9.1183
26	H*	2.3236	7.3869
27	H*	1.1913	8.5727
28	H*	1.7770	10.2504
29	H*	1.2811	9.8724
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)
Simulate proton splitting
NMR Field			MHz
Proton-proton coupling			Hz

ALL MY ATTEMPTS TO ADAPT THE THEORETICAL FOUNDATIONS OF PHYSICS TO THESE NEW NOTIONS FAILED COMPLETELY. IT WAS AS IF THE GROUND HAD BEEN PULLED OUT FROM UNDER ONE WITH NO FIRM FOUNDATION TO BE SEEN ANYWHERE, UPON WHICH ONE COULD HAVE BUILT. -- A.EINSTEIN