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	hartrees
Energy at 0K	-303.820425
Energy at 298.15K	-303.830266
HF Energy	-303.820425
Nuclear repulsion energy	247.257363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3548	3494	10.15
2	A	3088	3041	15.26
3	A	3042	2995	7.70
4	A	2960	2915	7.82
5	A	1706	1680	247.48
6	A	1496	1474	16.11
7	A	1463	1440	1.07
8	A	1443	1421	4.28
9	A	1418	1396	10.45
10	A	1169	1151	0.10
11	A	1145	1128	1.54
12	A	1117	1100	5.58
13	A	898	884	1.75
14	A	508	500	37.56
15	A	393	387	46.47
16	A	216	212	4.56
17	A	172	170	0.13
18	A	88	86	0.14
19	B	3543	3489	4.85
20	B	3088	3041	4.88
21	B	3042	2995	56.41
22	B	2959	2913	139.02
23	B	1518	1495	279.96
24	B	1479	1456	6.28
25	B	1452	1430	74.57
26	B	1420	1398	15.07
27	B	1227	1208	246.97
28	B	1129	1112	41.32
29	B	1116	1099	0.27
30	B	1009	994	1.81
31	B	743	732	8.30
32	B	709	698	20.93
33	B	465	458	102.11
34	B	312	307	40.98
35	B	113	112	9.40
36	B	100	99	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.099
O2	0.000	0.000	1.326
N3	0.000	1.164	-0.657
N4	0.000	-1.164	-0.657
C5	-0.231	2.440	0.008
C6	0.231	-2.440	0.008
H7	-0.356	1.087	-1.598
H8	0.356	-1.087	-1.598
H9	-0.004	3.247	-0.692
H10	0.004	-3.247	-0.692
H11	0.434	2.518	0.869
H12	-0.434	-2.518	0.869
H13	-1.264	2.550	0.366
H14	1.264	-2.550	0.366

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2265	1.3875	1.3875	2.4522	2.4522	2.0466	2.0466	3.3420	3.3420	2.6686	2.6686	2.8588	2.8588
O2	1.2265		2.2984	2.2984	2.7820	2.7820	3.1393	3.1393	3.8228	3.8228	2.5955	2.5955	3.0035	3.0035
N3	1.3875	2.2984		2.3273	1.4573	3.6714	1.0094	2.4654	2.0836	4.4108	2.0858	4.0088	2.1369	4.0543
N4	1.3875	2.2984	2.3273		3.6714	1.4573	2.4654	1.0094	4.4108	2.0836	4.0088	2.0858	4.0543	2.1369
C5	2.4522	2.7820	1.4573	3.6714		4.9010	2.1037	3.9194	1.0929	5.7344	1.0909	5.0358	1.0983	5.2213
C6	2.4522	2.7820	3.6714	1.4573	4.9010		3.9194	2.1037	5.7344	1.0929	5.0358	1.0909	5.2213	1.0983
H7	2.0466	3.1393	1.0094	2.4654	2.1037	3.9194		2.2875	2.3685	4.4422	2.9596	4.3691	2.6124	4.4398
H8	2.0466	3.1393	2.4654	1.0094	3.9194	2.1037	2.2875		4.4422	2.3685	4.3691	2.9596	4.4398	2.6124
H9	3.3420	3.8228	2.0836	4.4108	1.0929	5.7344	2.3685	4.4422		6.4940	1.7781	5.9881	1.7868	6.0280
H10	3.3420	3.8228	4.4108	2.0836	5.7344	1.0929	4.4422	2.3685	6.4940		5.9881	1.7781	6.0280	1.7868
H11	2.6686	2.5955	2.0858	4.0088	1.0909	5.0358	2.9596	4.3691	1.7781	5.9881		5.1102	1.7711	5.1603
H12	2.6686	2.5955	4.0088	2.0858	5.0358	1.0909	4.3691	2.9596	5.9881	1.7781	5.1102		5.1603	1.7711
H13	2.8588	3.0035	2.1369	4.0543	1.0983	5.2213	2.6124	4.4398	1.7868	6.0280	1.7711	5.1603		5.6925
H14	2.8588	3.0035	4.0543	2.1369	5.2213	1.0983	4.4398	2.6124	6.0280	1.7868	5.1603	1.7711	5.6925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.064	C1	N3	H7	116.374
C1	N4	C6	119.064	C1	N4	H8	116.374
O2	C1	N3	122.998	O2	C1	N4	122.998
N3	C1	N4	114.004	N3	C5	H9	108.744
N3	C5	H11	109.034	N3	C5	H13	112.722
N4	C6	H10	108.744	N4	C6	H12	109.034
N4	C6	H14	112.722	C5	N3	H7	115.857
C6	N4	H8	115.857	H9	C5	H11	109.023
H9	C5	H13	109.259	H10	C6	H12	109.023
H10	C6	H14	109.259	H11	C5	H13	108.000
H12	C6	H14	108.000

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

using model chemistry: B97D3/aug-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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Number	Element	Mulliken
1	C	0.377
2	O	-0.693
3	N	0.049
4	N	0.049
5	C	-0.437
6	C	-0.437
7	H	-0.014
8	H	-0.014
9	H	0.172
10	H	0.172
11	H	0.244
12	H	0.244
13	H	0.145
14	H	0.145

	x	y	z
x	7.171	-0.525	0.000
y	-0.525	12.039	0.000
z	0.000	0.000	9.166

<r²>	194.165
(<r²>)^1/2	13.934

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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