WebMO Job Summary

Quantity	Value
Route	#N M062X/6-311+G(2d,p) NMR Geom=Connectivity
Stoichiometry	C11H16O
Symmetry	C1
Basis	6-311+G(2d,p)
RM062X Energy	-503.954824625 Hartree
Dipole Moment	1.3131 Debye
Server	batch (127063)
CPU time	3939.6 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.3976841	0.04662172322
b	0.7745599	0.02583653722
c	0.5600290	0.01868055667

Atom	Symbol	Charge
1	C	-0.606478
2	C	0.489421
3	C	-0.143791
4	C	0.411676
5	C	-0.208882
6	C	-0.297627
7	C	-0.167050
8	H	0.122020
9	H	0.119896
10	H	0.122879
11	C	-0.661077
12	H	0.182318
13	H	0.176823
14	H	0.164573
15	O	-0.321806
16	C	0.025025
17	C	-0.579676
18	H	0.174464
19	H	0.168807
20	H	0.166673
21	C	-0.480560
22	H	0.160335
23	H	0.161851
24	H	0.167543
25	H	0.133750
26	H	0.159850
27	H	0.183999
28	H	0.175044

Atom	Symbol	Isotropic	Anisotropy
1	C*	20.5360	26.1249
2	C*	153.7399	202.4048
3	C*	176.7664	147.8965
4	C*	151.7988	200.2820
5	C*	149.1967	185.0906
6	C*	143.1564	198.6368
7	C*	148.2337	181.3081
8	H*	7.7466	7.6016
9	H*	7.7470	5.1141
10	H*	7.9754	8.1182
11	C*	17.8042	27.3411
12	H*	2.4088	7.5083
13	H*	2.5904	6.1779
14	H*	2.1916	9.7501
15	O	202.6200	107.5819
16	C*	78.4045	73.8720
17	C*	24.0358	31.1253
18	H*	1.2424	4.9094
19	H*	0.9848	6.0267
20	H*	0.7219	10.4478
21	C*	25.4519	39.0828
22	H*	1.7063	8.3107
23	H*	1.0768	10.0208
24	H*	1.4211	7.0125
25	H*	4.0285	4.5625
26	H*	2.0032	9.6047
27	H*	2.5490	5.0022
28	H*	2.2783	6.3654
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

BOOKS ARE LIGHTHOUSES ERECTED IN THE GREAT SEA OF TIME. -- E.P.WHIPPLE