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	hartrees
Energy at 0K	-56.197618
Energy at 298.15K	-56.208115
HF Energy	-56.197618
Nuclear repulsion energy	139.096875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3860	3466	27.41
2	A	3352	3011	36.85
3	A	3301	2964	38.39
4	A	3231	2901	6.08
5	A	1934	1737	420.52
6	A	1655	1486	26.14
7	A	1623	1458	0.35
8	A	1613	1449	4.61
9	A	1582	1421	0.57
10	A	1304	1171	0.03
11	A	1259	1131	0.42
12	A	1232	1106	10.30
13	A	993	892	1.25
14	A	578	519	119.83
15	A	457	411	56.65
16	A	237	213	5.58
17	A	215	193	0.15
18	A	143	128	0.86
19	B	3858	3464	10.80
20	B	3352	3010	27.03
21	B	3301	2964	111.55
22	B	3229	2900	154.08
23	B	1706	1532	472.59
24	B	1632	1466	3.67
25	B	1619	1453	48.13
26	B	1588	1426	11.79
27	B	1369	1229	268.71
28	B	1257	1128	24.35
29	B	1239	1113	8.45
30	B	1101	989	8.46
31	B	857	769	60.79
32	B	781	701	24.15
33	B	528	474	123.94
34	B	339	304	45.43
35	B	164	147	0.92
36	B	130	117	8.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.302
N3	0.000	1.161	-0.665
N4	0.000	-1.161	-0.665
C5	-0.245	2.427	0.026
C6	0.245	-2.427	0.026
H7	-0.429	1.074	-1.565
H8	0.429	-1.074	-1.565
H9	-0.122	3.236	-0.692
H10	0.122	-3.236	-0.692
H11	0.481	2.548	0.823
H12	-0.481	-2.548	0.823
H13	-1.245	2.476	0.462
H14	1.245	-2.476	0.462

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2120	1.3850	1.3850	2.4404	2.4404	2.0194	2.0194	3.3316	3.3316	2.6946	2.6946	2.7969	2.7969
O2	1.2120		2.2841	2.2841	2.7529	2.7529	3.0917	3.0917	3.8031	3.8031	2.6368	2.6368	2.8964	2.8964
N3	1.3850	2.2841		2.3223	1.4632	3.6625	1.0010	2.4480	2.0789	4.3992	2.0903	4.0253	2.1334	4.0067
N4	1.3850	2.2841	2.3223		3.6625	1.4632	2.4480	1.0010	4.3992	2.0789	4.0253	2.0903	4.0067	2.1334
C5	2.4404	2.7529	1.4632	3.6625		4.8791	2.0967	3.9050	1.0889	5.7206	1.0852	5.0440	1.0920	5.1437
C6	2.4404	2.7529	3.6625	1.4632	4.8791		3.9050	2.0967	5.7206	1.0889	5.0440	1.0852	5.1437	1.0920
H7	2.0194	3.0917	1.0010	2.4480	2.0967	3.9050		2.3141	2.3516	4.4328	2.9503	4.3391	2.5964	4.4185
H8	2.0194	3.0917	2.4480	1.0010	3.9050	2.0967	2.3141		4.4328	2.3516	4.3391	2.9503	4.4185	2.5964
H9	3.3316	3.8031	2.0789	4.3992	1.0889	5.7206	2.3516	4.4328		6.4772	1.7702	5.9901	1.7806	5.9865
H10	3.3316	3.8031	4.3992	2.0789	5.7206	1.0889	4.4328	2.3516	6.4772		5.9901	1.7702	5.9865	1.7806
H11	2.6946	2.6368	2.0903	4.0253	1.0852	5.0440	2.9503	4.3391	1.7702	5.9901		5.1859	1.7656	5.0949
H12	2.6946	2.6368	4.0253	2.0903	5.0440	1.0852	4.3391	2.9503	5.9901	1.7702	5.1859		5.0949	1.7656
H13	2.7969	2.8964	2.1334	4.0067	1.0920	5.1437	2.5964	4.4185	1.7806	5.9865	1.7656	5.0949		5.5440
H14	2.7969	2.8964	4.0067	2.1334	5.1437	1.0920	4.4185	2.5964	5.9865	1.7806	5.0949	1.7656	5.5440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.897	C1	N3	H7	114.681
C1	N4	C6	117.897	C1	N4	H8	114.681
O2	C1	N3	123.031	O2	C1	N4	123.031
N3	C1	N4	113.938	N3	C5	H9	108.202
N3	C5	H11	109.320	N3	C5	H13	112.406
N4	C6	H10	108.202	N4	C6	H12	109.320
N4	C6	H14	112.406	C5	N3	H7	115.334
C6	N4	H8	115.334	H9	C5	H11	109.023
H9	C5	H13	109.462	H10	C6	H12	109.023
H10	C6	H14	109.462	H11	C5	H13	108.379
H12	C6	H14	108.379

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

using model chemistry: HF/CEP-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	-0.129
2	O	-0.295
3	N	-0.295
4	N	-0.295
5	C	-0.295
6	C	-0.295
7	H	0.338
8	H	0.338
9	H	0.156
10	H	0.156
11	H	0.172
12	H	0.172
13	H	0.136
14	H	0.136

	x	y	z
x	5.005	-0.309	0.000
y	-0.309	7.815	0.000
z	0.000	0.000	6.603

<r²>	157.682
(<r²>)^1/2	12.557

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

using model chemistry: HF/CEP-31G*

States and conformations

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