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	hartrees
Energy at 0K	-303.350538
Energy at 298.15K
HF Energy	-302.158059
Nuclear repulsion energy	249.062652

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.088
O2	0.000	0.000	1.305
N3	0.000	1.156	-0.668
N4	0.000	-1.156	-0.668
C5	-0.257	2.409	0.025
C6	0.257	-2.409	0.025
H7	-0.433	1.066	-1.571
H8	0.433	-1.066	-1.571
H9	-0.102	3.231	-0.671
H10	0.102	-3.231	-0.671
H11	0.444	2.507	0.849
H12	-0.444	-2.507	0.849
H13	-1.268	2.466	0.433
H14	1.268	-2.466	0.433

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2164	1.3817	1.3817	2.4231	2.4231	2.0188	2.0188	3.3202	3.3202	2.6571	2.6571	2.7948	2.7948
O2	1.2164		2.2866	2.2866	2.7395	2.7395	3.0969	3.0969	3.7883	3.7883	2.5865	2.5865	2.9072	2.9072
N3	1.3817	2.2866		2.3128	1.4539	3.6408	1.0052	2.4374	2.0766	4.3881	2.0787	3.9896	2.1300	3.9932
N4	1.3817	2.2866	2.3128		3.6408	1.4539	2.4374	1.0052	4.3881	2.0766	3.9896	2.0787	3.9932	2.1300
C5	2.4231	2.7395	1.4539	3.6408		4.8445	2.0927	3.8851	1.0882	5.6933	1.0861	4.9876	1.0923	5.1243
C6	2.4231	2.7395	3.6408	1.4539	4.8445		3.8851	2.0927	5.6933	1.0882	4.9876	1.0861	5.1243	1.0923
H7	2.0188	3.0969	1.0052	2.4374	2.0927	3.8851		2.3010	2.3673	4.4220	2.9493	4.3149	2.5834	4.4030
H8	2.0188	3.0969	2.4374	1.0052	3.8851	2.0927	2.3010		4.4220	2.3673	4.3149	2.9493	4.4030	2.5834
H9	3.3202	3.7883	2.0766	4.3881	1.0882	5.6933	2.3673	4.4220		6.4643	1.7697	5.9452	1.7787	5.9626
H10	3.3202	3.7883	4.3881	2.0766	5.6933	1.0882	4.4220	2.3673	6.4643		5.9452	1.7697	5.9626	1.7787
H11	2.6571	2.5865	2.0787	3.9896	1.0861	4.9876	2.9493	4.3149	1.7697	5.9452		5.0919	1.7627	5.0583
H12	2.6571	2.5865	3.9896	2.0787	4.9876	1.0861	4.3149	2.9493	5.9452	1.7697	5.0919		5.0583	1.7627
H13	2.7948	2.9072	2.1300	3.9932	1.0923	5.1243	2.5834	4.4030	1.7787	5.9626	1.7627	5.0583		5.5469
H14	2.7948	2.9072	3.9932	2.1300	5.1243	1.0923	4.4030	2.5834	5.9626	1.7787	5.0583	1.7627	5.5469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.388	C1	N3	H7	114.591
C1	N4	C6	117.388	C1	N4	H8	114.591
O2	C1	N3	123.182	O2	C1	N4	123.182
N3	C1	N4	113.637	N3	C5	H9	108.695
N3	C5	H11	108.988	N3	C5	H13	112.780
N4	C6	H10	108.695	N4	C6	H12	108.988
N4	C6	H14	112.780	C5	N3	H7	115.429
C6	N4	H8	115.429	H9	C5	H11	108.963
H9	C5	H13	109.321	H10	C6	H12	108.963
H10	C6	H14	109.321	H11	C5	H13	108.031
H12	C6	H14	108.031

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: QCISD/cc-pVTZ

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 NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)