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	hartrees
Energy at 0K	-303.261013
Energy at 298.15K	-303.271208
HF Energy	-302.079343
Nuclear repulsion energy	249.786106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3699	3483	29.49
2	A	3217	3029	8.58
3	A	3170	2985	8.93
4	A	3093	2912	3.93
5	A	1849	1741	234.13
6	A	1569	1477	13.31
7	A	1538	1448	0.19
8	A	1513	1425	4.85
9	A	1489	1402	3.54
10	A	1240	1168	0.39
11	A	1212	1141	1.39
12	A	1176	1108	6.06
13	A	952	896	0.71
14	A	551	519	75.17
15	A	436	410	57.38
16	A	227	214	3.59
17	A	202	190	0.00
18	A	108	102	0.23
19	B	3695	3479	12.01
20	B	3217	3029	5.81
21	B	3170	2985	37.98
22	B	3092	2911	80.22
23	B	1609	1515	376.33
24	B	1554	1463	4.49
25	B	1531	1442	67.71
26	B	1491	1404	11.44
27	B	1310	1234	179.70
28	B	1189	1120	22.05
29	B	1175	1107	4.57
30	B	1083	1020	1.07
31	B	810	763	27.52
32	B	752	708	24.39
33	B	494	465	95.62
34	B	320	301	47.07
35	B	127	120	8.96
36	B	117	110	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.087
O2	0.000	0.000	1.298
N3	0.000	1.152	-0.666
N4	0.000	-1.152	-0.666
C5	-0.244	2.401	0.027
C6	0.244	-2.401	0.027
H7	-0.418	1.070	-1.576
H8	0.418	-1.070	-1.576
H9	-0.077	3.226	-0.665
H10	0.077	-3.226	-0.665
H11	0.455	2.490	0.854
H12	-0.455	-2.490	0.854
H13	-1.256	2.472	0.432
H14	1.256	-2.472	0.432

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2112	1.3766	1.3766	2.4145	2.4145	2.0213	2.0213	3.3130	3.3130	2.6447	2.6447	2.7942	2.7942
O2	1.2112		2.2775	2.2775	2.7280	2.7280	3.0955	3.0955	3.7768	3.7768	2.5697	2.5697	2.9049	2.9049
N3	1.3766	2.2775		2.3043	1.4493	3.6287	1.0048	2.4372	2.0749	4.3785	2.0756	3.9727	2.1275	3.9898
N4	1.3766	2.2775	2.3043		3.6287	1.4493	2.4372	1.0048	4.3785	2.0749	3.9727	2.0756	3.9898	2.1275
C5	2.4145	2.7280	1.4493	3.6287		4.8274	2.0914	3.8804	1.0889	5.6785	1.0865	4.9651	1.0928	5.1149
C6	2.4145	2.7280	3.6287	1.4493	4.8274		3.8804	2.0914	5.6785	1.0889	4.9651	1.0865	5.1149	1.0928
H7	2.0213	3.0955	1.0048	2.4372	2.0914	3.8804		2.2973	2.3653	4.4190	2.9472	4.3103	2.5888	4.4024
H8	2.0213	3.0955	2.4372	1.0048	3.8804	2.0914	2.2973		4.4190	2.3653	4.3103	2.9472	4.4024	2.5888
H9	3.3130	3.7768	2.0749	4.3785	1.0889	5.6785	2.3653	4.4190		6.4532	1.7698	5.9259	1.7779	5.9535
H10	3.3130	3.7768	4.3785	2.0749	5.6785	1.0889	4.4190	2.3653	6.4532		5.9259	1.7698	5.9535	1.7779
H11	2.6447	2.5697	2.0756	3.9727	1.0865	4.9651	2.9472	4.3103	1.7698	5.9259		5.0621	1.7626	5.0436
H12	2.6447	2.5697	3.9727	2.0756	4.9651	1.0865	4.3103	2.9472	5.9259	1.7698	5.0621		5.0436	1.7626
H13	2.7942	2.9049	2.1275	3.9898	1.0928	5.1149	2.5888	4.4024	1.7779	5.9535	1.7626	5.0436		5.5455
H14	2.7942	2.9049	3.9898	2.1275	5.1149	1.0928	4.4024	2.5888	5.9535	1.7779	5.0436	1.7626	5.5455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.365	C1	N3	H7	115.279
C1	N4	C6	117.365	C1	N4	H8	115.279
O2	C1	N3	123.178	O2	C1	N4	123.178
N3	C1	N4	113.645	N3	C5	H9	108.839
N3	C5	H11	109.039	N3	C5	H13	112.876
N4	C6	H10	108.839	N4	C6	H12	109.039
N4	C6	H14	112.876	C5	N3	H7	115.714
C6	N4	H8	115.714	H9	C5	H11	108.894
H9	C5	H13	109.160	H10	C6	H12	108.894
H10	C6	H14	109.160	H11	C5	H13	107.963
H12	C6	H14	107.963

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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