WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) NMR Geom=Connectivity
Stoichiometry	C9H13N
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-405.516375124 Hartree
Dipole Moment	1.1102 Debye
Server	batch (332083)
CPU time	135.6 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.1859714	0.07291615722
b	0.9242606	0.03083001508
c	0.6899444	0.02301406795

Atom	Symbol	Charge
1	C	-0.158422
2	C	-0.432340
3	H	0.146638
4	H	0.149184
5	H	0.138143
6	C	-0.453415
7	H	0.150950
8	H	0.139035
9	H	0.149455
10	C	0.154393
11	C	-0.190942
12	C	-0.137341
13	C	-0.188442
14	C	0.348569
15	C	-0.241485
16	H	0.120455
17	N	-0.844472
18	H	0.323524
19	H	0.324001
20	H	0.116480
21	H	0.127976
22	H	0.117671
23	H	0.140386

Atom	Symbol	Isotropic	Anisotropy
1	C*	33.3577	12.7185
2	C*	26.0333	31.8155
3	H*	1.4774	8.3421
4	H*	0.7121	6.2107
5	H*	1.1312	9.3996
6	C*	23.4023	19.0196
7	H*	1.4401	8.1064
8	H*	0.9769	8.4626
9	H*	1.2200	5.5969
10	C*	147.1990	183.6117
11	C*	117.7246	148.2091
12	C*	128.5996	164.3707
13	C*	109.6464	130.8431
14	C*	151.5033	139.6155
15	C*	108.8962	131.5219
16	H*	6.7206	12.2451
17	N	168.0355	94.1025
18	H*	4.6163	9.7435
19	H*	4.6290	10.7339
20	H*	6.3581	5.3891
21	H*	7.2709	4.3913
22	H*	6.8855	7.5283
23	H*	2.6786	6.9568
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

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