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	hartrees
Energy at 0K	-303.404047
Energy at 298.15K	-303.414202
HF Energy	-302.158381
Nuclear repulsion energy	249.949752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3479	33.67
2	A	3205	3043	8.16
3	A	3167	3007	6.55
4	A	3089	2933	4.91
5	A	1798	1707	230.76
6	A	1553	1475	10.46
7	A	1521	1444	0.23
8	A	1486	1411	4.96
9	A	1465	1391	7.09
10	A	1224	1162	0.84
11	A	1194	1134	0.76
12	A	1158	1099	5.83
13	A	939	891	1.46
14	A	550	522	79.19
15	A	434	412	53.92
16	A	224	213	3.58
17	A	192	182	0.02
18	A	110	104	0.29
19	B	3662	3476	12.27
20	B	3205	3043	4.55
21	B	3167	3007	36.01
22	B	3089	2932	90.46
23	B	1585	1505	362.88
24	B	1539	1461	10.59
25	B	1515	1438	74.88
26	B	1466	1392	16.74
27	B	1288	1222	184.95
28	B	1173	1114	26.11
29	B	1155	1096	1.25
30	B	1074	1020	1.06
31	B	789	749	17.54
32	B	741	704	20.76
33	B	484	460	99.20
34	B	316	300	45.68
35	B	127	121	8.00
36	B	116	110	1.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.083
O2	0.000	0.000	1.302
N3	0.000	1.152	-0.667
N4	0.000	-1.152	-0.667
C5	-0.222	2.401	0.027
C6	0.222	-2.401	0.027
H7	-0.419	1.071	-1.576
H8	0.419	-1.071	-1.576
H9	-0.046	3.220	-0.659
H10	0.046	-3.220	-0.659
H11	0.480	2.472	0.847
H12	-0.480	-2.472	0.847
H13	-1.226	2.482	0.437
H14	1.226	-2.482	0.437

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2189	1.3752	1.3752	2.4115	2.4115	2.0190	2.0190	3.3050	3.3050	2.6311	2.6311	2.7909	2.7909
O2	1.2189		2.2819	2.2819	2.7272	2.7272	3.0996	3.0996	3.7706	3.7706	2.5585	2.5585	2.9003	2.9003
N3	1.3752	2.2819		2.3043	1.4457	3.6268	1.0042	2.4377	2.0686	4.3727	2.0653	3.9568	2.1194	3.9914
N4	1.3752	2.2819	2.3043		3.6268	1.4457	2.4377	1.0042	4.3727	2.0686	3.9568	2.0653	3.9914	2.1194
C5	2.4115	2.7272	1.4457	3.6268		4.8216	2.0926	3.8770	1.0832	5.6689	1.0817	4.9475	1.0875	5.1093
C6	2.4115	2.7272	3.6268	1.4457	4.8216		3.8770	2.0926	5.6689	1.0832	4.9475	1.0817	5.1093	1.0875
H7	2.0190	3.0996	1.0042	2.4377	2.0926	3.8770		2.2995	2.3670	4.4125	2.9403	4.2924	2.5879	4.4026
H8	2.0190	3.0996	2.4377	1.0042	3.8770	2.0926	2.2995		4.4125	2.3670	4.2924	2.9403	4.4026	2.5879
H9	3.3050	3.7706	2.0686	4.3727	1.0832	5.6689	2.3670	4.4125		6.4412	1.7620	5.9037	1.7716	5.9444
H10	3.3050	3.7706	4.3727	2.0686	5.6689	1.0832	4.4125	2.3670	6.4412		5.9037	1.7620	5.9444	1.7716
H11	2.6311	2.5585	2.0653	3.9568	1.0817	4.9475	2.9403	4.2924	1.7620	5.9037		5.0354	1.7541	5.0264
H12	2.6311	2.5585	3.9568	2.0653	4.9475	1.0817	4.2924	2.9403	5.9037	1.7620	5.0354		5.0264	1.7541
H13	2.7909	2.9003	2.1194	3.9914	1.0875	5.1093	2.5879	4.4026	1.7716	5.9444	1.7541	5.0264		5.5367
H14	2.7909	2.9003	3.9914	2.1194	5.1093	1.0875	4.4026	2.5879	5.9444	1.7716	5.0264	1.7541	5.5367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.465	C1	N3	H7	115.216
C1	N4	C6	117.465	C1	N4	H8	115.216
O2	C1	N3	123.088	O2	C1	N4	123.088
N3	C1	N4	113.824	N3	C5	H9	108.927
N3	C5	H11	108.751	N3	C5	H13	112.806
N4	C6	H10	108.927	N4	C6	H12	108.751
N4	C6	H14	112.806	C5	N3	H7	116.161
C6	N4	H8	116.161	H9	C5	H11	108.959
H9	C5	H13	109.400	H10	C6	H12	108.959
H10	C6	H14	109.400	H11	C5	H13	107.929
H12	C6	H14	107.929

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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