WebMO Job Summary

Quantity	Value
Route	#N M062X/cc-pVTZ NMR Geom=Connectivity
Stoichiometry	C10H16O
Symmetry	C1
Basis	CC-pVTZ
RM062X Energy	-465.885830547 Hartree
Dipole Moment	3.1365 Debye
Server	chem344 (2214271)
CPU time	11380.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.4597776	0.04869293943
b	1.1965288	0.03991190466
c	1.1070957	0.03692873755

Atom	Symbol	Charge
1	C	-0.356142
2	C	-0.319576
3	C	-0.110752
4	C	-0.357440
5	C	0.193401
6	C	0.043676
7	C	0.018266
8	C	-0.431059
9	H	0.149697
10	H	0.144124
11	H	0.151967
12	C	-0.437334
13	H	0.139282
14	H	0.151765
15	H	0.153149
16	C	-0.369136
17	H	0.135090
18	H	0.158556
19	H	0.145153
20	O	-0.310028
21	H	0.167885
22	H	0.167900
23	H	0.146418
24	H	0.145440
25	H	0.151447
26	H	0.164166
27	H	0.164088

Atom	Symbol	Isotropic	Anisotropy
1	C*	32.9096	41.5247
2	C*	29.8306	25.9969
3	C*	48.0431	37.0179
4	C*	48.0694	23.7331
5	C*	244.2995	202.6839
6	C*	63.7197	26.2690
7	C*	51.6467	22.1426
8	C*	22.2551	35.7241
9	H*	0.7665	9.3340
10	H*	0.6294	9.6768
11	H*	0.9358	10.7204
12	C*	21.2617	34.8430
13	H*	1.2006	8.7151
14	H*	0.8123	9.6368
15	H*	0.8898	10.2262
16	C*	11.177	20.5227
17	H*	0.5049	9.0602
18	H*	1.3874	10.8318
19	H*	0.753	10.0908
20	O	-371.4945	1116.6638
21	H*	1.6104	8.7775
22	H*	2.198	9.3097
23	H*	1.8904	9.6778
24	H*	1.1912	11.4799
25	H*	1.943	10.1624
26	H*	1.5817	8.4834
27	H*	1.2306	10.6852
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

THE IRISH PIG 'TWAS AN EVENING IN NOVEMBER, AS I VERY WELL REMEMBER I WAS STROLLING DOWN THE STREET IN DRUNKEN PRIDE, BUT MY KNEES WERE ALL A'FLUTTER SO I LANDED IN THE GUTTER, AND A PIG CAME UP AND LAY DOWN BY MY SIDE. YES, I LAY THERE IN THE GUTTER THINKING THOUGHTS I COULD NOT UTTER WHEN A COLLEEN PASSING BY DID SOFTLY SAY, 'YE CAN TELL A MAN THAT BOOZES BY THE COMPANY THAT HE CHOOSES.' - AT THAT, THE PIG GOT UP AND WALKED AWAY! -- THE ECONOMIST, AUGUST 23, 1986