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	hartrees
Energy at 0K	-303.127244
Energy at 298.15K	-303.137536
HF Energy	-302.106432
Nuclear repulsion energy	247.697868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3604	3469
2	A	3149	3032
3	A	3100	2984
4	A	3017	2905
5	A	1801	1734
6	A	1547	1490
7	A	1516	1459
8	A	1503	1447
9	A	1473	1418
10	A	1213	1168
11	A	1184	1140
12	A	1151	1108
13	A	932	897
14	A	601	578
15	A	465	448
16	A	230	221
17	A	202	194
18	A	127	122
19	B	3601	3467
20	B	3150	3032
21	B	3099	2984
22	B	3016	2904
23	B	1582	1523
24	B	1529	1472
25	B	1509	1453
26	B	1477	1422
27	B	1279	1231
28	B	1166	1123
29	B	1158	1115
30	B	1054	1015
31	B	776	748
32	B	746	718
33	B	521	502
34	B	325	313
35	B	140	134
36	B	120	116

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.313
N3	0.000	1.162	-0.678
N4	0.000	-1.162	-0.678
C5	-0.269	2.416	0.026
C6	0.269	-2.416	0.026
H7	-0.482	1.064	-1.562
H8	0.482	-1.064	-1.562
H9	-0.101	3.247	-0.667
H10	0.101	-3.247	-0.667
H11	0.427	2.504	0.864
H12	-0.427	-2.504	0.864
H13	-1.293	2.470	0.424
H14	1.293	-2.470	0.424

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2206	1.3946	1.3946	2.4317	2.4317	2.0258	2.0258	3.3367	3.3367	2.6540	2.6540	2.8076	2.8076
O2	1.2206		2.3057	2.3057	2.7508	2.7508	3.1037	3.1037	3.8051	3.8051	2.5791	2.5791	2.9264	2.9264
N3	1.3946	2.3057		2.3246	1.4625	3.6567	1.0118	2.4439	2.0875	4.4109	2.0875	3.9996	2.1439	4.0101
N4	1.3946	2.3057	2.3246		3.6567	1.4625	2.4439	1.0118	4.4109	2.0875	3.9996	2.0875	4.0101	2.1439
C5	2.4317	2.7508	1.4625	3.6567		4.8616	2.0959	3.8984	1.0953	5.7175	1.0924	4.9928	1.1000	5.1450
C6	2.4317	2.7508	3.6567	1.4625	4.8616		3.8984	2.0959	5.7175	1.0953	4.9928	1.0924	5.1450	1.1000
H7	2.0258	3.1037	1.0118	2.4439	2.0959	3.8984		2.3374	2.3899	4.4421	2.9633	4.3148	2.5646	4.4260
H8	2.0258	3.1037	2.4439	1.0118	3.8984	2.0959	2.3374		4.4421	2.3899	4.3148	2.9633	4.4260	2.5646
H9	3.3367	3.8051	2.0875	4.4109	1.0953	5.7175	2.3899	4.4421		6.4979	1.7819	5.9601	1.7933	5.9853
H10	3.3367	3.8051	4.4109	2.0875	5.7175	1.0953	4.4421	2.3899	6.4979		5.9601	1.7819	5.9853	1.7933
H11	2.6540	2.5791	2.0875	3.9996	1.0924	4.9928	2.9633	4.3148	1.7819	5.9601		5.0792	1.7748	5.0677
H12	2.6540	2.5791	3.9996	2.0875	4.9928	1.0924	4.3148	2.9633	5.9601	1.7819	5.0792		5.0677	1.7748
H13	2.8076	2.9264	2.1439	4.0101	1.1000	5.1450	2.5646	4.4260	1.7933	5.9853	1.7748	5.0677		5.5760
H14	2.8076	2.9264	4.0101	2.1439	5.1450	1.1000	4.4260	2.5646	5.9853	1.7933	5.0677	1.7748	5.5760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.646	C1	N3	H7	113.715
C1	N4	C6	116.646	C1	N4	H8	113.715
O2	C1	N3	123.548	O2	C1	N4	123.548
N3	C1	N4	112.904	N3	C5	H9	108.546
N3	C5	H11	108.716	N3	C5	H13	112.809
N4	C6	H10	108.546	N4	C6	H12	108.716
N4	C6	H14	112.809	C5	N3	H7	114.559
C6	N4	H8	114.559	H9	C5	H11	109.072
H9	C5	H13	109.545	H10	C6	H12	109.072
H10	C6	H14	109.545	H11	C5	H13	108.093
H12	C6	H14	108.093

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

using model chemistry: QCISD(T)/6-311G*

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(T)/6-311G*

States and conformations

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