WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) NMR
Method	B3LYP
Stoichiometry	C10H10Cl2
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-1307.61339287 Hartree
Dipole Moment	2.4290 Debye
Server	class (274128)
CPU time	1810.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.2981391	0.04330125943
b	0.4484124	0.01495742765
c	0.4154159	0.01385678288

Atom	Symbol	Charge
1	C	1.081061
2	C	-0.283656
3	C	-0.801005
4	H	0.119122
5	C	1.270000
6	C	-0.525327
7	C	-0.224085
8	C	-0.097304
9	C	-0.123374
10	C	-0.319933
11	H	0.084947
12	H	0.084892
13	H	0.085321
14	H	0.086710
15	H	0.102508
16	H	0.106570
17	C	-0.639705
18	H	0.150653
19	H	0.133045
20	H	0.138188
21	Cl	-0.198831
22	Cl	-0.229795

Atom	Symbol	Isotropic	Anisotropy
1	C*	92.9349	67.6420
2	C*	36.2045	49.6716
3	C*	42.7075	61.0910
4	H*	2.9398	9.3313
5	C*	140.3044	179.8727
6	C*	137.7032	181.0112
7	C*	133.7537	184.8553
8	C*	132.2901	184.8259
9	C*	132.9328	183.2663
10	C*	134.6004	173.5375
11	H*	7.3459	9.9404
12	H*	7.5512	5.5619
13	H*	7.5556	4.5903
14	H*	7.6788	5.8758
15	H*	7.8637	10.4529
16	H*	2.0142	10.3291
17	C*	12.8096	15.0118
18	H*	0.5887	4.9956
19	H*	1.3480	11.0467
20	H*	1.5421	10.5723
21	Cl	688.2737	465.0373
22	Cl	573.0463	690.9351
*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

There was a great rattling of the words for the fewness of ideas. -- Charles Baxter in Gryphon