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	hartrees
Energy at 0K	-263.839605
Energy at 298.15K
HF Energy	-263.025820
Nuclear repulsion energy	183.026121

Atom	x (Å)	y (Å)	z (Å)
C1	-1.867	0.044	0.095
H2	-2.072	0.799	-0.666
H3	-2.680	-0.675	0.060
H4	-1.871	0.527	1.073
H5	-0.618	-1.656	-0.061
N6	-0.627	-0.659	-0.177
C7	0.627	-0.111	-0.024
H8	-0.076	1.789	-0.433
H9	1.567	1.653	-0.048
N10	0.642	1.272	0.042
O11	1.636	-0.791	0.075

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0909	1.0860	1.0912	2.1148	1.4511	2.5020	2.5560	3.7955	2.7945	3.6009
H2	1.0909		1.7520	1.7712	2.9161	2.1098	2.9200	2.2402	3.7889	2.8446	4.1014
H3	1.0860	1.7520		1.7683	2.2865	2.0671	3.3562	3.6192	4.8450	3.8513	4.3174
H4	1.0912	1.7712	1.7683		2.7603	2.1251	2.8019	2.6611	3.7874	2.8169	3.8767
H5	2.1148	2.9161	2.2865	2.7603		1.0038	1.9843	3.5073	3.9653	3.1895	2.4177
N6	1.4511	2.1098	2.0671	2.1251	1.0038		1.3769	2.5222	3.1898	2.3211	2.2803
C7	2.5020	2.9200	3.3562	2.8019	1.9843	1.3769		2.0677	1.9993	1.3854	1.2200
H8	2.5560	2.2402	3.6192	2.6611	3.5073	2.5222	2.0677		1.6936	1.0043	3.1380
H9	3.7955	3.7889	4.8450	3.7874	3.9653	3.1898	1.9993	1.6936		1.0043	2.4480
N10	2.7945	2.8446	3.8513	2.8169	3.1895	2.3211	1.3854	1.0043	1.0043		2.2904
O11	3.6009	4.1014	4.3174	3.8767	2.4177	2.2803	1.2200	3.1380	2.4480	2.2904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.805	C1	N6	C7	124.418
H2	C1	H3	107.184	H2	C1	H4	108.522
H2	C1	N6	111.405	H3	C1	H4	108.624
H3	C1	N6	108.270	H4	C1	N6	112.657
H5	N6	C7	111.964	N6	C7	N10	114.340
N6	C7	O11	122.706	C7	N10	H8	118.957
C7	N10	H9	112.597	H8	N10	H9	114.951
N10	C7	O11	122.937

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)

using model chemistry: MP3/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H6N2O (Urea, methyl-)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)