WebMO Job Summary

Quantity	Value
Route	#N M062X/cc-pVTZ NMR Geom=Connectivity
Stoichiometry	C7H5FO2
Symmetry	CS
Basis	CC-pVTZ
RM062X Energy	-520.064956113 Hartree
Dipole Moment	1.3937 Debye
Server	chem344 (2213987)
CPU time	2449 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	3.9030973	0.13019331193
b	0.7813434	0.02606281043
c	0.6510189	0.02171565303

Atom	Symbol	Charge
1	C	-0.067620
2	C	-0.212001
3	C	0.305943
4	C	-0.202122
5	C	-0.084817
6	C	-0.076834
7	C	0.348527
8	O	-0.320345
9	H	0.270601
10	O	-0.351476
11	H	0.143733
12	H	0.131364
13	F	-0.165379
14	H	0.132613
15	H	0.147813

Atom	Symbol	Isotropic	Anisotropy
1	C	156.1054	225.9092
2	C	134.2396	176.0711
3	C	189.2827	130.2962
4	C	133.0168	175.3311
5	C	154.186	216.8035
6	C	143.7462	181.0018
7	C	180.767	100.9158
8	O	131.4928	197.5509
9	H	6.4674	11.5237
10	O	-111.8986	603.5016
11	H	9.0083	8.6885
12	H	7.7503	5.9704
13	F	281.1491	132.8053
14	H	7.7917	5.9301
15	H	9.1992	8.1125
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

THOUGH I SPEAK WITH THE TONGUES OF MEN AND OF ANGELS, AND HAVE NOT LOVE, I AM BECOME AS SOUNDING BRASS, A TINKLING CYMBAL. AND THOUGH I HAVE THE GIFT OF PROPHECY, AND UNDERSTAND ALL MYSTERIES, AND ALL KNOWLEDGE. AND THOUGH I HAVE ALL FAITH, SO THAT I COULD REMOVE MOUNTAINS, AND HAVE NOT LOVE, I AM NOTHING. AND THOUGH I BESTOW ALL MY GOODS TO FEED THE POOR, AND THOUGH I GIVE MY BODY TO BE BURNED, AND HAVE NOT LOVE IT PROFITETH ME NOTHING. LOVE SUFFERETH LONG, AND IS KIND, LOVE ENVIETH NOT, LOVE VAUNTETH NOT ITSELF, IS NOT PUFFED UP, DOTH NOT BEHAVE ITSELF UNSEEMLY, SEEKETH NOT HER OWN, IS NOT EASILY PROVOKED, THINKETH NO EVIL, REJOICETH NOT IN INIQUITY, BUT REJOICETH IN THE TRUTH, BEARETH ALL THINGS, BELIEVETH ALL THINGS, HOPETH ALL THINGS, ENDURETH ALL THINGS. LOVE NEVER FAILETH, BUT WHETHER THERE BE PROPHECIES, THEY SHALL FAIL, WHETHER THERE BE TONGUES, THEY SHALL CEASE, WHETHER THERE BE KNOWLEDGE, IT SHALL VANISH AWAY. FOR WE KNOW IN PART, AND WE PROPHESY IN PART. BUT WHEN THAT WHICH IS PERFECT IS COME, THEN THAT WHICH IS IN PART SHALL BE DONE AWAY. WHEN I WAS A CHILD, I SPAKE AS A CHILD, I UNDERSTOOD AS A CHILD, I THOUGHT AS A CHILD. BUT WHEN I BECAME A MAN, I PUT AWAY CHILDISH THINGS. FOR NOW WE SEE THROUGH A GLASS, DARKLY, BUT THEN FACE TO FACE. NOW I KNOW IN PART. BUT THEN SHALL I KNOW EVEN AS ALSO I AM KNOWN. AND NOW ABIDETH FAITH, HOPE AND LOVE, THESE THREE. BUT THE GREATEST OF THESE IS LOVE. I CORINTHIANS 13