WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) NMR Geom=Connectivity
Stoichiometry	C4H10O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-233.661726719 Hartree
Dipole Moment	1.7176 Debye
Server	batch (332000)
CPU time	21.5 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	18.5715966	0.61948178163
b	1.9417993	0.06477145266
c	1.8460187	0.06157655574

Atom	Symbol	Charge
1	C	-0.025981
2	C	-0.270554
3	C	-0.254575
4	C	-0.440094
5	H	0.143906
6	H	0.141997
7	H	0.144844
8	H	0.135593
9	H	0.132301
10	H	0.118160
11	H	0.144744
12	O	-0.615634
13	H	0.384729
14	H	0.144501
15	H	0.116064

Atom	Symbol	Isotropic	Anisotropy
1	C*	63.6961	59.4890
2	C*	38.6516	36.0283
3	C*	21.4693	12.1890
4	C*	16.1212	23.3316
5	H*	1.1345	9.5384
6	H*	0.8896	7.8377
7	H*	0.9714	7.8799
8	H*	1.2886	7.1726
9	H*	1.2676	6.8766
10	H*	1.2321	4.2792
11	H*	1.7942	4.5023
12	O	282.9932	63.4568
13	H*	-0.3691	14.4538
14	H*	3.5796	4.2527
15	H*	3.6899	4.7414
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

IN-LAWS ARE LIKE SEEDS. YOU DON'T NEED THEM BUT THEY COME WITH THE TOMATO.