WebMO Job Summary

Quantity	Value
Route	#N M062X/cc-pVTZ NMR Geom=Connectivity
Stoichiometry	C10H18O
Symmetry	C1
Basis	CC-pVTZ
RM062X Energy	-467.082860419 Hartree
Dipole Moment	1.4337 Debye
Server	chem344 (2214288)
CPU time	13290.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.4161294	0.04723699220
b	1.1781638	0.03929931419
c	1.1000475	0.03669363490

Atom	Symbol	Charge
1	C	-0.059607
2	C	0.073206
3	C	-0.377462
4	C	-0.321690
5	C	-0.107625
6	C	-0.352309
7	H	0.144990
8	H	0.155816
9	C	0.054174
10	C	-0.437304
11	H	0.138474
12	H	0.145622
13	H	0.146835
14	C	-0.442995
15	H	0.147309
16	H	0.136475
17	H	0.150138
18	H	0.138110
19	H	0.139773
20	H	0.146514
21	H	0.146794
22	H	0.155296
23	C	-0.373300
24	H	0.154586
25	H	0.132819
26	H	0.141139
27	O	-0.384019
28	H	0.254215
29	H	0.154026

Atom	Symbol	Isotropic	Anisotropy
1	C*	85.2965	44.2237
2	C*	54.1075	28.4327
3	C*	38.8241	41.0377
4	C*	29.9259	26.1538
5	C*	50.257	44.8902
6	C*	46.5922	30.3323
7	H*	1.5947	9.8139
8	H*	1.6884	8.7510
9	C*	52.3334	18.1415
10	C*	122.6555	33.5534
11	H*	0.6650	10.8601
12	H*	0.8163	9.0562
13	H*	1.9546	7.7379
14	C*	22.6077	38.6246
15	H*	0.7507	10.7354
16	H*	0.9237	9.5129
17	H*	0.8358	9.2648
18	H*	1.5625	10.3192
19	H*	0.9011	11.6330
20	H*	1.7137	11.3417
21	H*	0.8814	10.0740
22	H*	1.5324	9.3395
23	C*	13.598	21.4340
24	H*	1.4361	9.2760
25	H*	0.6216	9.6440
26	H*	0.8498	11.6854
27	O	259.5690	62.8209
28	H*	0.3996	20.1169
29	H*	3.5736	5.4977
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

DEPRESSION IS WAITING FOR YOUR SHIP TO COME IN, AND FINDING OUT IT'S THE TITANIC.