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	hartrees
Energy at 0K	-302.961835
Energy at 298.15K	-302.972092
HF Energy	-302.039687
Nuclear repulsion energy	248.153888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3434	20.90
2	A	3206	3034	11.24
3	A	3157	2988	10.81
4	A	3076	2911	4.41
5	A	1865	1765	247.39
6	A	1572	1488	16.57
7	A	1544	1461	0.25
8	A	1528	1446	5.39
9	A	1499	1419	3.54
10	A	1238	1172	0.08
11	A	1213	1148	1.19
12	A	1173	1110	6.99
13	A	955	904	0.34
14	A	581	550	137.58
15	A	464	439	37.52
16	A	231	218	3.95
17	A	202	191	0.18
18	A	116	109	0.38
19	B	3626	3432	12.15
20	B	3205	3034	7.95
21	B	3157	2988	47.34
22	B	3075	2911	86.64
23	B	1618	1531	410.92
24	B	1559	1476	3.88
25	B	1539	1457	53.69
26	B	1502	1422	6.63
27	B	1316	1246	194.89
28	B	1190	1126	11.90
29	B	1175	1112	20.43
30	B	1081	1023	1.08
31	B	780	738	60.94
32	B	757	716	16.38
33	B	517	489	107.74
34	B	328	311	46.01
35	B	128	121	7.51
36	B	126	119	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.312
N3	0.000	1.159	-0.671
N4	0.000	-1.159	-0.671
C5	-0.246	2.417	0.023
C6	0.246	-2.417	0.023
H7	-0.458	1.070	-1.570
H8	0.458	-1.070	-1.570
H9	-0.068	3.240	-0.676
H10	0.068	-3.240	-0.676
H11	0.455	2.500	0.857
H12	-0.455	-2.500	0.857
H13	-1.266	2.492	0.424
H14	1.266	-2.492	0.424

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2218	1.3864	1.3864	2.4304	2.4304	2.0277	2.0277	3.3296	3.3296	2.6536	2.6536	2.8147	2.8147
O2	1.2218		2.2967	2.2967	2.7501	2.7501	3.1084	3.1084	3.8015	3.8015	2.5811	2.5811	2.9328	2.9328
N3	1.3864	2.2967		2.3175	1.4580	3.6509	1.0133	2.4464	2.0819	4.3989	2.0826	3.9904	2.1393	4.0158
N4	1.3864	2.2967	2.3175		3.6509	1.4580	2.4464	1.0133	4.3989	2.0819	3.9904	2.0826	4.0158	2.1393
C5	2.4304	2.7501	1.4580	3.6509		4.8590	2.0977	3.8977	1.0941	5.7083	1.0914	4.9911	1.0984	5.1518
C6	2.4304	2.7501	3.6509	1.4580	4.8590		3.8977	2.0977	5.7083	1.0941	4.9911	1.0914	5.1518	1.0984
H7	2.0277	3.1084	1.0133	2.4464	2.0977	3.8977		2.3276	2.3794	4.4324	2.9609	4.3161	2.5785	4.4308
H8	2.0277	3.1084	2.4464	1.0133	3.8977	2.0977	2.3276		4.4324	2.3794	4.3161	2.9609	4.4308	2.5785
H9	3.3296	3.8015	2.0819	4.3989	1.0941	5.7083	2.3794	4.4324		6.4806	1.7800	5.9528	1.7897	5.9863
H10	3.3296	3.8015	4.3989	2.0819	5.7083	1.0941	4.4324	2.3794	6.4806		5.9528	1.7800	5.9863	1.7897
H11	2.6536	2.5811	2.0826	3.9904	1.0914	4.9911	2.9609	4.3161	1.7800	5.9528		5.0811	1.7741	5.0754
H12	2.6536	2.5811	3.9904	2.0826	4.9911	1.0914	4.3161	2.9609	5.9528	1.7800	5.0811		5.0754	1.7741
H13	2.8147	2.9328	2.1393	4.0158	1.0984	5.1518	2.5785	4.4308	1.7897	5.9863	1.7741	5.0754		5.5898
H14	2.8147	2.9328	4.0158	2.1393	5.1518	1.0984	4.4308	2.5785	5.9863	1.7897	5.0754	1.7741	5.5898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.381	C1	N3	H7	114.439
C1	N4	C6	117.381	C1	N4	H8	114.439
O2	C1	N3	123.300	O2	C1	N4	123.300
N3	C1	N4	113.400	N3	C5	H9	108.489
N3	C5	H11	108.704	N3	C5	H13	112.869
N4	C6	H10	108.489	N4	C6	H12	108.704
N4	C6	H14	112.869	C5	N3	H7	114.977
C6	N4	H8	114.977	H9	C5	H11	109.066
H9	C5	H13	109.431	H10	C6	H12	109.066
H10	C6	H14	109.431	H11	C5	H13	108.221
H12	C6	H14	108.221

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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