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	hartrees
Energy at 0K	-303.347650
Energy at 298.15K
HF Energy	-302.158257
Nuclear repulsion energy	249.176940

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.089
O2	0.000	0.000	1.303
N3	0.000	1.156	-0.667
N4	0.000	-1.156	-0.667
C5	-0.254	2.409	0.025
C6	0.254	-2.409	0.025
H7	-0.431	1.066	-1.570
H8	0.431	-1.066	-1.570
H9	-0.098	3.230	-0.672
H10	0.098	-3.230	-0.672
H11	0.448	2.507	0.848
H12	-0.448	-2.507	0.848
H13	-1.264	2.468	0.435
H14	1.264	-2.468	0.435

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2146	1.3809	1.3809	2.4227	2.4227	2.0185	2.0185	3.3194	3.3194	2.6571	2.6571	2.7948	2.7948
O2	1.2146		2.2842	2.2842	2.7384	2.7384	3.0951	3.0951	3.7868	3.7868	2.5867	2.5867	2.9061	2.9061
N3	1.3809	2.2842		2.3117	1.4536	3.6399	1.0049	2.4370	2.0762	4.3866	2.0784	3.9885	2.1295	3.9933
N4	1.3809	2.2842	2.3117		3.6399	1.4536	2.4370	1.0049	4.3866	2.0762	3.9885	2.0784	3.9933	2.1295
C5	2.4227	2.7384	1.4536	3.6399		4.8438	2.0927	3.8843	1.0880	5.6920	1.0859	4.9872	1.0921	5.1241
C6	2.4227	2.7384	3.6399	1.4536	4.8438		3.8843	2.0927	5.6920	1.0880	4.9872	1.0859	5.1241	1.0921
H7	2.0185	3.0951	1.0049	2.4370	2.0927	3.8843		2.2998	2.3663	4.4206	2.9487	4.3140	2.5847	4.4030
H8	2.0185	3.0951	2.4370	1.0049	3.8843	2.0927	2.2998		4.4206	2.3663	4.3140	2.9487	4.4030	2.5847
H9	3.3194	3.7868	2.0762	4.3866	1.0880	5.6920	2.3663	4.4206		6.4623	1.7692	5.9443	1.7784	5.9622
H10	3.3194	3.7868	4.3866	2.0762	5.6920	1.0880	4.4206	2.3663	6.4623		5.9443	1.7692	5.9622	1.7784
H11	2.6571	2.5867	2.0784	3.9885	1.0859	4.9872	2.9487	4.3140	1.7692	5.9443		5.0926	1.7623	5.0582
H12	2.6571	2.5867	3.9885	2.0784	4.9872	1.0859	4.3140	2.9487	5.9443	1.7692	5.0926		5.0582	1.7623
H13	2.7948	2.9061	2.1295	3.9933	1.0921	5.1241	2.5847	4.4030	1.7784	5.9622	1.7623	5.0582		5.5466
H14	2.7948	2.9061	3.9933	2.1295	5.1241	1.0921	4.4030	2.5847	5.9622	1.7784	5.0582	1.7623	5.5466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.441	C1	N3	H7	114.652
C1	N4	C6	117.441	C1	N4	H8	114.652
O2	C1	N3	123.172	O2	C1	N4	123.172
N3	C1	N4	113.657	N3	C5	H9	108.699
N3	C5	H11	109.000	N3	C5	H13	112.779
N4	C6	H10	108.699	N4	C6	H12	109.000
N4	C6	H14	112.779	C5	N3	H7	115.478
C6	N4	H8	115.478	H9	C5	H11	108.949
H9	C5	H13	109.321	H10	C6	H12	108.949
H10	C6	H14	109.321	H11	C5	H13	108.029
H12	C6	H14	108.029

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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