WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) NMR Geom=Connectivity
Stoichiometry	C10H7NO3
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-665.582013049 Hartree
Dipole Moment	5.1438 Debye
Server	batch (621604)
CPU time	422.6 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.7898201	0.09305838174
b	0.3003176	0.01001751685
c	0.2728643	0.00910177333

Atom	Symbol	Isotropic	Anisotropy
1	C*	121.3087	117.4196
2	C*	133.3202	91.5459
3	O	50.4592	300.9950
4	C*	136.4735	92.9324
5	C*	103.3885	114.1467
6	H*	6.3995	4.2978
7	H*	7.2554	2.2281
8	H*	7.5527	4.8623
9	C*	133.4056	181.5563
10	C*	119.6892	148.2504
11	C*	119.1876	167.0723
12	C*	139.8714	102.1180
13	C*	119.3905	167.6725
14	C*	119.9239	150.1243
15	H*	7.2964	8.2720
16	H*	8.1714	5.4285
17	N	-109.9690	264.9651
18	O	-263.6719	701.7993
19	O	-264.1849	702.1633
20	H*	8.1430	5.4046
21	H*	7.3915	7.9898
*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

OLD HORSE! OLD HORSE! WHAT BROUGHT YOU HERE? FROM SACARAP' TO PORTLAND PIER I'VE CARTED STONE THIS MANY A YEAR; TILL, KILLED BY BLOWS AND SORE ABUSE, THEY SALTED ME DOWN FOR SAILORS' USE. THE SAILORS THEY DO ME DESPISE; THEY TURN ME OVER AND DAMN MY EYES; CUT OFF MY MEAT, AND SCRAPE MY BONES, AND PITCH ME OVER TO DAVY JONES. SAILORS' COMPLAINT ABOUT THE BEEF SERVED ON SHIPBOARD, CIRCA 1835.