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	hartrees
Energy at 0K	-302.538405
Energy at 298.15K	-302.548039
HF Energy	-301.947745
Nuclear repulsion energy	242.376971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3646	3511	29.75
2	A	3178	3060	12.47
3	A	3122	3007	9.05
4	A	3027	2915	0.29
5	A	1667	1605	200.52
6	A	1567	1509	39.73
7	A	1537	1480	2.71
8	A	1516	1460	14.33
9	A	1479	1424	52.22
10	A	1200	1156	1.02
11	A	1176	1132	5.23
12	A	1169	1126	9.55
13	A	895	862	7.40
14	A	491	472	7.89
15	A	323	311	52.08
16	A	227	218	1.52
17	A	162	156	0.24
18	A	46	44	0.12
19	B	3641	3507	11.59
20	B	3177	3060	7.79
21	B	3123	3007	82.56
22	B	3026	2914	146.60
23	B	1581	1522	260.13
24	B	1551	1493	54.66
25	B	1525	1469	121.58
26	B	1488	1433	14.51
27	B	1283	1236	309.47
28	B	1178	1135	6.59
29	B	1171	1128	28.68
30	B	1021	983	0.47
31	B	715	689	17.06
32	B	694	669	21.60
33	B	490	472	296.41
34	B	335	322	33.40
35	B	120	115	16.81
36	B	61	59	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.097
O2	0.000	0.000	1.373
N3	0.000	1.182	-0.664
N4	0.000	-1.182	-0.664
C5	-0.068	2.508	0.000
C6	0.068	-2.508	0.000
H7	-0.216	1.130	-1.656
H8	0.216	-1.130	-1.656
H9	0.455	3.250	-0.624
H10	-0.455	-3.250	-0.624
H11	0.434	2.425	0.974
H12	-0.434	-2.425	0.974
H13	-1.110	2.837	0.170
H14	1.110	-2.837	0.170

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2759	1.4061	1.4061	2.5108	2.5108	2.0970	2.0970	3.3604	3.3604	2.6150	2.6150	3.0471	3.0471
O2	1.2759		2.3553	2.3553	2.8600	2.8600	3.2402	3.2402	3.8420	3.8420	2.4958	2.4958	3.2751	3.2751
N3	1.4061	2.3553		2.3643	1.4845	3.7501	1.0164	2.5253	2.1180	4.4560	2.1015	3.9854	2.1600	4.2520
N4	1.4061	2.3553	2.3643		3.7501	1.4845	2.5253	1.0164	4.4560	2.1180	3.9854	2.1015	4.2520	2.1600
C5	2.5108	2.8600	1.4845	3.7501		5.0178	2.1594	4.0075	1.1022	5.8050	1.0986	5.0416	1.1056	5.4757
C6	2.5108	2.8600	3.7501	1.4845	5.0178		4.0075	2.1594	5.8050	1.1022	5.0416	1.0986	5.4757	1.1056
H7	2.0970	3.2402	1.0164	2.5253	2.1594	4.0075		2.3012	2.4514	4.5067	3.0025	4.4275	2.6544	4.5638
H8	2.0970	3.2402	2.5253	1.0164	4.0075	2.1594	2.3012		4.5067	2.4514	4.4275	3.0025	4.5638	2.6544
H9	3.3604	3.8420	2.1180	4.4560	1.1022	5.8050	2.4514	4.5067		6.5640	1.7987	5.9628	1.8031	6.1735
H10	3.3604	3.8420	4.4560	2.1180	5.8050	1.1022	4.5067	2.4514	6.5640		5.9628	1.7987	6.1735	1.8031
H11	2.6150	2.4958	2.1015	3.9854	1.0986	5.0416	3.0025	4.4275	1.7987	5.9628		4.9273	1.7887	5.3657
H12	2.6150	2.4958	3.9854	2.1015	5.0416	1.0986	4.4275	3.0025	5.9628	1.7987	4.9273		5.3657	1.7887
H13	3.0471	3.2751	2.1600	4.2520	1.1056	5.4757	2.6544	4.5638	1.8031	6.1735	1.7887	5.3657		6.0924
H14	3.0471	3.2751	4.2520	2.1600	5.4757	1.1056	4.5638	2.6544	6.1735	1.8031	5.3657	1.7887	6.0924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	120.569	C1	N3	H7	119.035
C1	N4	C6	120.569	C1	N4	H8	119.035
O2	C1	N3	122.782	O2	C1	N4	122.782
N3	C1	N4	114.436	N3	C5	H9	109.036
N3	C5	H11	107.951	N3	C5	H13	112.183
N4	C6	H10	109.036	N4	C6	H12	107.951
N4	C6	H14	112.183	C5	N3	H7	118.204
C6	N4	H8	118.204	H9	C5	H11	109.634
H9	C5	H13	109.514	H10	C6	H12	109.634
H10	C6	H14	109.514	H11	C5	H13	108.485
H12	C6	H14	108.485

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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