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	hartrees
Energy at 0K	-300.970978
Energy at 298.15K	-300.980813
HF Energy	-300.359689
Nuclear repulsion energy	245.283621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3611	3423	26.86
2	A	3192	3026	1.06
3	A	3127	2964	0.38
4	A	3073	2913	1.24
5	A	1729	1639	117.48
6	A	1624	1540	24.14
7	A	1612	1528	0.18
8	A	1537	1457	16.41
9	A	1496	1418	59.00
10	A	1212	1149	5.37
11	A	1193	1131	0.03
12	A	1168	1107	1.98
13	A	917	870	7.14
14	A	505	479	2.39
15	A	245	232	1.57
16	A	229	217	8.78
17	A	169	160	0.23
18	A	76	72	4.40
19	B	3604	3417	7.73
20	B	3191	3025	0.44
21	B	3127	2964	92.65
22	B	3072	2912	120.75
23	B	1630	1545	23.49
24	B	1613	1529	11.26
25	B	1558	1477	324.59
26	B	1507	1429	19.44
27	B	1249	1184	405.92
28	B	1200	1137	2.78
29	B	1188	1126	45.66
30	B	1029	976	2.47
31	B	754	715	27.73
32	B	716	679	11.13
33	B	469	445	298.37
34	B	377	358	53.10
35	B	148	141	3.66
36	B	105	100	17.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.348
N3	0.000	1.167	-0.668
N4	0.000	-1.167	-0.668
C5	-0.042	2.474	0.012
C6	0.042	-2.474	0.012
H7	-0.129	1.126	-1.671
H8	0.129	-1.126	-1.671
H9	0.797	3.108	-0.292
H10	-0.797	-3.108	-0.292
H11	0.032	2.255	1.079
H12	-0.032	-2.255	1.079
H13	-0.983	3.003	-0.181
H14	0.983	-3.003	-0.181

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2555	1.3925	1.3925	2.4756	2.4756	2.0961	2.0961	3.2318	3.2318	2.4619	2.4619	3.1716	3.1716
O2	1.2555		2.3290	2.3290	2.8116	2.8116	3.2244	3.2244	3.6037	3.6037	2.2713	2.2713	3.5100	3.5100
N3	1.3925	2.3290		2.3333	1.4744	3.7039	1.0120	2.5059	2.1322	4.3648	2.0589	3.8423	2.1392	4.3117
N4	1.3925	2.3290	2.3333		3.7039	1.4744	2.5059	1.0120	4.3648	2.1322	3.8423	2.0589	4.3117	2.1392
C5	2.4756	2.8116	1.4744	3.7039		4.9486	2.1582	3.9779	1.0951	5.6413	1.0916	4.8479	1.0963	5.5755
C6	2.4756	2.8116	3.7039	1.4744	4.9486		3.9779	2.1582	5.6413	1.0951	4.8479	1.0916	5.5755	1.0963
H7	2.0961	3.2244	1.0120	2.5059	2.1582	3.9779		2.2671	2.5860	4.5030	2.9773	4.3596	2.5441	4.5287
H8	2.0961	3.2244	2.5059	1.0120	3.9779	2.1582	2.2671		4.5030	2.5860	4.3596	2.9773	4.5287	2.5441
H9	3.2318	3.6037	2.1322	4.3648	1.0951	5.6413	2.5860	4.5030		6.4178	1.7871	5.5979	1.7861	6.1154
H10	3.2318	3.6037	4.3648	2.1322	5.6413	1.0951	4.5030	2.5860	6.4178		5.5979	1.7871	6.1154	1.7861
H11	2.4619	2.2713	2.0589	3.8423	1.0916	4.8479	2.9773	4.3596	1.7871	5.5979		4.5108	1.7825	5.4900
H12	2.4619	2.2713	3.8423	2.0589	4.8479	1.0916	4.3596	2.9773	5.5979	1.7871	4.5108		5.4900	1.7825
H13	3.1716	3.5100	2.1392	4.3117	1.0963	5.5755	2.5441	4.5287	1.7861	6.1154	1.7825	5.4900		6.3197
H14	3.1716	3.5100	4.3117	2.1392	5.5755	1.0963	4.5287	2.5441	6.1154	1.7861	5.4900	1.7825	6.3197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.394	C1	N3	H7	120.501
C1	N4	C6	119.394	C1	N4	H8	120.501
O2	C1	N3	123.092	O2	C1	N4	123.092
N3	C1	N4	113.815	N3	C5	H9	111.301
N3	C5	H11	105.749	N3	C5	H13	111.794
N4	C6	H10	111.301	N4	C6	H12	105.749
N4	C6	H14	111.794	C5	N3	H7	119.289
C6	N4	H8	119.289	H9	C5	H11	109.624
H9	C5	H13	109.180	H10	C6	H12	109.624
H10	C6	H14	109.180	H11	C5	H13	109.114
H12	C6	H14	109.114

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

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

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