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	hartrees
Energy at 0K	-302.993631
Energy at 298.15K	-303.003874
HF Energy	-302.039526
Nuclear repulsion energy	248.157663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3615	3434	18.83
2	A	3197	3037	12.33
3	A	3147	2989	11.37
4	A	3069	2915	5.02
5	A	1846	1753	231.72
6	A	1570	1492	15.21
7	A	1542	1464	0.25
8	A	1525	1449	5.77
9	A	1498	1423	3.50
10	A	1236	1174	0.12
11	A	1210	1149	1.29
12	A	1172	1113	7.26
13	A	952	904	0.19
14	A	579	550	131.94
15	A	461	438	38.41
16	A	229	218	3.87
17	A	201	191	0.18
18	A	116	110	0.35
19	B	3613	3432	11.37
20	B	3197	3037	8.59
21	B	3148	2990	49.17
22	B	3068	2914	89.53
23	B	1614	1533	396.61
24	B	1558	1480	3.70
25	B	1537	1460	53.52
26	B	1501	1425	7.47
27	B	1314	1248	191.19
28	B	1189	1129	13.77
29	B	1174	1115	18.08
30	B	1078	1024	1.50
31	B	779	740	58.10
32	B	754	716	18.09
33	B	513	487	107.42
34	B	326	310	45.92
35	B	128	122	6.49
36	B	126	120	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.089
O2	0.000	0.000	1.313
N3	0.000	1.159	-0.671
N4	0.000	-1.159	-0.671
C5	-0.247	2.415	0.024
C6	0.247	-2.415	0.024
H7	-0.457	1.071	-1.572
H8	0.457	-1.071	-1.572
H9	-0.086	3.238	-0.679
H10	0.086	-3.238	-0.679
H11	0.463	2.506	0.848
H12	-0.463	-2.506	0.848
H13	-1.262	2.482	0.438
H14	1.262	-2.482	0.438

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2241	1.3858	1.3858	2.4289	2.4289	2.0282	2.0282	3.3292	3.3292	2.6591	2.6591	2.8062	2.8062
O2	1.2241		2.2978	2.2978	2.7488	2.7488	3.1110	3.1110	3.8028	3.8028	2.5903	2.5903	2.9188	2.9188
N3	1.3858	2.2978		2.3177	1.4573	3.6497	1.0138	2.4477	2.0813	4.3980	2.0828	3.9942	2.1385	4.0097
N4	1.3858	2.2978	2.3177		3.6497	1.4573	2.4477	1.0138	4.3980	2.0813	3.9942	2.0828	4.0097	2.1385
C5	2.4289	2.7488	1.4573	3.6497		4.8560	2.0978	3.8983	1.0941	5.7070	1.0914	4.9945	1.0984	5.1412
C6	2.4289	2.7488	3.6497	1.4573	4.8560		3.8983	2.0978	5.7070	1.0941	4.9945	1.0914	5.1412	1.0984
H7	2.0282	3.1110	1.0138	2.4477	2.0978	3.8983		2.3282	2.3736	4.4340	2.9604	4.3186	2.5844	4.4289
H8	2.0282	3.1110	2.4477	1.0138	3.8983	2.0978	2.3282		4.4340	2.3736	4.3186	2.9604	4.4289	2.5844
H9	3.3292	3.8028	2.0813	4.3980	1.0941	5.7070	2.3736	4.4340		6.4790	1.7805	5.9557	1.7893	5.9821
H10	3.3292	3.8028	4.3980	2.0813	5.7070	1.0941	4.4340	2.3736	6.4790		5.9557	1.7805	5.9821	1.7893
H11	2.6591	2.5903	2.0828	3.9942	1.0914	4.9945	2.9604	4.3186	1.7805	5.9557		5.0966	1.7736	5.0681
H12	2.6591	2.5903	3.9942	2.0828	4.9945	1.0914	4.3186	2.9604	5.9557	1.7805	5.0966		5.0681	1.7736
H13	2.8062	2.9188	2.1385	4.0097	1.0984	5.1412	2.5844	4.4289	1.7893	5.9821	1.7736	5.0681		5.5689
H14	2.8062	2.9188	4.0097	2.1385	5.1412	1.0984	4.4289	2.5844	5.9821	1.7893	5.0681	1.7736	5.5689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.343	C1	N3	H7	114.497
C1	N4	C6	117.343	C1	N4	H8	114.497
O2	C1	N3	123.260	O2	C1	N4	123.260
N3	C1	N4	113.479	N3	C5	H9	108.485
N3	C5	H11	108.769	N3	C5	H13	112.848
N4	C6	H10	108.485	N4	C6	H12	108.769
N4	C6	H14	112.848	C5	N3	H7	115.006
C6	N4	H8	115.006	H9	C5	H11	109.111
H9	C5	H13	109.390	H10	C6	H12	109.111
H10	C6	H14	109.390	H11	C5	H13	108.181
H12	C6	H14	108.181

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

using model chemistry: CCSD=FULL/6-31G*

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*

States and conformations

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