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	hartrees
Energy at 0K	-302.287538
Energy at 298.15K	-302.297522
HF Energy	-302.287538
Nuclear repulsion energy	249.425249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3533	3467	15.54
2	A	3086	3028	0.29
3	A	3033	2977	1.15
4	A	2968	2913	0.09
5	A	1796	1762	189.38
6	A	1498	1470	28.25
7	A	1462	1434	0.00
8	A	1450	1423	1.01
9	A	1379	1353	32.71
10	A	1222	1199	2.80
11	A	1148	1127	8.08
12	A	1117	1096	3.13
13	A	928	911	6.34
14	A	514	504	6.80
15	A	335	328	34.52
16	A	239	235	1.41
17	A	171	168	0.13
18	A	128	125	2.40
19	B	3529	3463	9.46
20	B	3085	3027	0.21
21	B	3034	2977	59.79
22	B	2966	2911	151.38
23	B	1576	1547	408.42
24	B	1465	1437	26.67
25	B	1458	1431	94.45
26	B	1387	1361	7.72
27	B	1232	1209	142.58
28	B	1129	1108	3.12
29	B	1120	1099	30.45
30	B	1087	1066	26.57
31	B	739	725	5.01
32	B	699	686	14.59
33	B	482	473	169.91
34	B	354	347	62.30
35	B	155	152	3.39
36	B	109	107	11.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.319
N3	0.000	1.153	-0.655
N4	0.000	-1.153	-0.655
C5	-0.150	2.412	0.008
C6	0.150	-2.412	0.008
H7	-0.263	1.090	-1.637
H8	0.263	-1.090	-1.637
H9	0.599	3.148	-0.334
H10	-0.599	-3.148	-0.334
H11	0.003	2.207	1.081
H12	-0.003	-2.207	1.081
H13	-1.160	2.847	-0.120
H14	1.160	-2.847	-0.120

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2289	1.3728	1.3728	2.4184	2.4184	2.0594	2.0594	3.2323	3.2323	2.4194	2.4194	3.0819	3.0819
O2	1.2289		2.2860	2.2860	2.7498	2.7498	3.1619	3.1619	3.6056	3.6056	2.2202	2.2202	3.3949	3.3949
N3	1.3728	2.2860		2.3061	1.4307	3.6295	1.0192	2.4626	2.1074	4.3543	2.0306	3.7821	2.1220	4.1996
N4	1.3728	2.2860	2.3061		3.6295	1.4307	2.4626	1.0192	4.3543	2.1074	3.7821	2.0306	4.1996	2.1220
C5	2.4184	2.7498	1.4307	3.6295		4.8339	2.1139	3.8911	1.1045	5.5886	1.1032	4.7449	1.1071	5.4221
C6	2.4184	2.7498	3.6295	1.4307	4.8339		3.8911	2.1139	5.5886	1.1045	4.7449	1.1032	5.4221	1.1071
H7	2.0594	3.1619	1.0192	2.4626	2.1139	3.8911		2.2416	2.5843	4.4462	2.9510	4.2809	2.4897	4.4528
H8	2.0594	3.1619	2.4626	1.0192	3.8911	2.1139	2.2416		4.4462	2.5843	4.2809	2.9510	4.4528	2.4897
H9	3.2323	3.6056	2.1074	4.3543	1.1045	5.5886	2.5843	4.4462		6.4088	1.8004	5.5716	1.7979	6.0252
H10	3.2323	3.6056	4.3543	2.1074	5.5886	1.1045	4.4462	2.5843	6.4088		5.5716	1.8004	6.0252	1.7979
H11	2.4194	2.2202	2.0306	3.7821	1.1032	4.7449	2.9510	4.2809	1.8004	5.5716		4.4148	1.7902	5.3228
H12	2.4194	2.2202	3.7821	2.0306	4.7449	1.1032	4.2809	2.9510	5.5716	1.8004	4.4148		5.3228	1.7902
H13	3.0819	3.3949	2.1220	4.1996	1.1071	5.4221	2.4897	4.4528	1.7979	6.0252	1.7902	5.3228		6.1495
H14	3.0819	3.3949	4.1996	2.1220	5.4221	1.1071	4.4528	2.4897	6.0252	1.7979	5.3228	1.7902	6.1495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.212	C1	N3	H7	118.096
C1	N4	C6	119.212	C1	N4	H8	118.096
O2	C1	N3	122.864	O2	C1	N4	122.864
N3	C1	N4	114.273	N3	C5	H9	111.812
N3	C5	H11	105.799	N3	C5	H13	112.856
N4	C6	H10	111.812	N4	C6	H12	105.799
N4	C6	H14	112.856	C5	N3	H7	118.303
C6	N4	H8	118.303	H9	C5	H11	109.280
H9	C5	H13	108.774	H10	C6	H12	109.280
H10	C6	H14	108.774	H11	C5	H13	108.183
H12	C6	H14	108.183

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.650
2	O	-0.474
3	N	-0.574
4	N	-0.574
5	C	-0.425
6	C	-0.425
7	H	0.326
8	H	0.326
9	H	0.179
10	H	0.179
11	H	0.230
12	H	0.230
13	H	0.177
14	H	0.177

	x	y	z
x	5.039	-0.328	0.000
y	-0.328	10.537	0.000
z	0.000	0.000	7.088

<r²>	190.016
(<r²>)^1/2	13.785

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

using model chemistry: LSDA/6-31G*

States and conformations

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