WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) NMR Geom=Connectivity
Stoichiometry	C12H12
Symmetry	C2H
Basis	6-31G(d)
RB3LYP Energy	-464.518034813 Hartree
Dipole Moment	0.0000 Debye
Server	batch (332007)
CPU time	101.6 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.5892327	0.08636750628
b	0.5675386	0.01893104996
c	0.4682867	0.01562036294

Atom	Symbol	Charge
1	C	-0.518595
2	C	0.142673
3	C	-0.247180
4	C	0.146618
5	C	0.146618
6	C	-0.247180
7	C	0.142673
8	C	-0.183572
9	C	-0.200535
10	H	0.129840
11	H	0.124923
12	C	-0.518595
13	H	0.153320
14	H	0.164123
15	H	0.164123
16	H	0.124261
17	C	-0.200535
18	C	-0.183572
19	H	0.124923
20	H	0.129840
21	H	0.124261
22	H	0.153320
23	H	0.164123
24	H	0.164123

Atom	Symbol	Isotropic	Anisotropy
1	C*	23.5983	35.7033
2	C*	136.2155	176.2058
3	C*	126.9493	135.7720
4	C*	125.1359	194.6564
5	C*	125.1359	194.6564
6	C*	126.9493	135.7720
7	C*	136.2155	176.2058
8	C*	127.9454	146.4551
9	C*	127.9164	145.4037
10	H*	7.7892	7.5366
11	H*	7.5146	7.0181
12	C*	23.5983	35.7033
13	H*	1.8401	7.1975
14	H*	2.6943	7.7922
15	H*	2.6943	7.7922
16	H*	7.7916	9.3488
17	C*	127.9164	145.4037
18	C*	127.9454	146.4551
19	H*	7.5146	7.0181
20	H*	7.7892	7.5366
21	H*	7.7916	9.3488
22	H*	1.8401	7.1975
23	H*	2.6943	7.7922
24	H*	2.6943	7.7922
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

THERE'S NOTHING WRONG WITH FOLLOWING A TRAIN OF THOUGHT... AS LONG AS IT ULTIMATELY PULLS INTO THE STATION.