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	hartrees
Energy at 0K	-303.174392
Energy at 298.15K	-303.184545
HF Energy	-302.084646
Nuclear repulsion energy	246.378367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3581	3492
2	A	3158	3080
3	A	3118	3041
4	A	3031	2956
5	A	1715	1672
6	A	1508	1471
7	A	1477	1441
8	A	1460	1424
9	A	1432	1396
10	A	1191	1162
11	A	1163	1134
12	A	1126	1098
13	A	908	885
14	A	551	538
15	A	437	426
16	A	222	216
17	A	193	189
18	A	128	125
19	B	3580	3491
20	B	3158	3080
21	B	3118	3041
22	B	3030	2955
23	B	1545	1507
24	B	1492	1455
25	B	1472	1435
26	B	1435	1400
27	B	1257	1226
28	B	1147	1118
29	B	1134	1106
30	B	1038	1012
31	B	749	730
32	B	723	705
33	B	477	465
34	B	311	303
35	B	146	143
36	B	119	116

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.083
O2	0.000	0.000	1.321
N3	0.000	1.170	-0.682
N4	0.000	-1.170	-0.682
C5	-0.263	2.426	0.031
C6	0.263	-2.426	0.031
H7	-0.465	1.078	-1.581
H8	0.465	-1.078	-1.581
H9	-0.143	3.260	-0.679
H10	0.143	-3.260	-0.679
H11	0.473	2.535	0.840
H12	-0.473	-2.535	0.840
H13	-1.275	2.459	0.474
H14	1.275	-2.459	0.474

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2386	1.3974	1.3974	2.4412	2.4412	2.0363	2.0363	3.3506	3.3506	2.6876	2.6876	2.7974	2.7974
O2	1.2386		2.3195	2.3195	2.7608	2.7608	3.1308	3.1308	3.8272	3.8272	2.6230	2.6230	2.8966	2.8966
N3	1.3974	2.3195		2.3398	1.4681	3.6756	1.0167	2.4654	2.0947	4.4319	2.0984	4.0329	2.1501	4.0162
N4	1.3974	2.3195	2.3398		3.6756	1.4681	2.4654	1.0167	4.4319	2.0947	4.0329	2.0984	4.0162	2.1501
C5	2.4412	2.7608	1.4681	3.6756		4.8812	2.1113	3.9253	1.1012	5.7446	1.0996	5.0312	1.1056	5.1409
C6	2.4412	2.7608	3.6756	1.4681	4.8812		3.9253	2.1113	5.7446	1.1012	5.0312	1.0996	5.1409	1.1056
H7	2.0363	3.1308	1.0167	2.4654	2.1113	3.9253		2.3478	2.3828	4.4719	2.9777	4.3491	2.6053	4.4453
H8	2.0363	3.1308	2.4654	1.0167	3.9253	2.1113	2.3478		4.4719	2.3828	4.3491	2.9777	4.4453	2.6053
H9	3.3506	3.8272	2.0947	4.4319	1.1012	5.7446	2.3828	4.4719		6.5257	1.7927	5.9994	1.8037	6.0036
H10	3.3506	3.8272	4.4319	2.0947	5.7446	1.1012	4.4719	2.3828	6.5257		5.9994	1.7927	6.0036	1.8037
H11	2.6876	2.6230	2.0984	4.0329	1.0996	5.0312	2.9777	4.3491	1.7927	5.9994		5.1571	1.7881	5.0709
H12	2.6876	2.6230	4.0329	2.0984	5.0312	1.0996	4.3491	2.9777	5.9994	1.7927	5.1571		5.0709	1.7881
H13	2.7974	2.8966	2.1501	4.0162	1.1056	5.1409	2.6053	4.4453	1.8037	6.0036	1.7881	5.0709		5.5398
H14	2.7974	2.8966	4.0162	2.1501	5.1409	1.1056	4.4453	2.6053	6.0036	1.8037	5.0709	1.7881	5.5398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.818	C1	N3	H7	114.090
C1	N4	C6	116.818	C1	N4	H8	114.090
O2	C1	N3	123.157	O2	C1	N4	123.157
N3	C1	N4	113.687	N3	C5	H9	108.385
N3	C5	H11	108.766	N3	C5	H13	112.558
N4	C6	H10	108.385	N4	C6	H12	108.766
N4	C6	H14	112.558	C5	N3	H7	115.143
C6	N4	H8	115.143	H9	C5	H11	109.087
H9	C5	H13	109.639	H10	C6	H12	109.087
H10	C6	H14	109.639	H11	C5	H13	108.353
H12	C6	H14	108.353

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

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