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	hartrees
Energy at 0K	-303.785141
Energy at 298.15K	-303.795288
HF Energy	-303.785141
Nuclear repulsion energy	252.589168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3615	3563	18.94
2	A	3504	3454	9.21
3	A	3109	3064	2.45
4	A	3065	3021	16.59
5	A	3016	2973	32.59
6	A	2994	2951	63.92
7	A	2947	2905	89.06
8	A	2916	2874	86.85
9	A	1728	1703	365.26
10	A	1604	1581	117.58
11	A	1509	1488	52.58
12	A	1482	1460	10.96
13	A	1473	1451	6.50
14	A	1470	1449	17.60
15	A	1444	1424	52.20
16	A	1398	1378	11.73
17	A	1385	1366	159.42
18	A	1261	1243	35.40
19	A	1243	1225	42.71
20	A	1144	1127	2.57
21	A	1104	1089	3.65
22	A	1077	1061	75.67
23	A	1057	1042	11.57
24	A	999	985	32.12
25	A	754	743	45.61
26	A	750	739	14.48
27	A	591	583	70.68
28	A	573	565	115.94
29	A	505	498	7.72
30	A	430	424	25.79
31	A	381	376	12.05
32	A	304	300	9.72
33	A	186	184	4.26
34	A	154	151	1.40
35	A	123	121	5.10
36	A	84	83	1.38

Atom	x (Å)	y (Å)	z (Å)
H1	2.545	0.672	0.166
O2	1.247	-1.342	-0.070
C3	0.767	-0.214	-0.018
N4	-0.594	0.039	-0.037
H5	1.277	1.710	0.570
N6	1.580	0.930	0.000
H7	-2.216	-1.097	-0.764
H8	-2.101	-1.010	1.016
H9	-0.934	-2.002	0.090
C10	-1.517	-1.080	0.085
H11	-1.317	1.799	0.942
H12	-2.139	1.338	-0.564
H13	-0.521	2.050	-0.644
C14	-1.163	1.376	-0.067

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4075	1.9951	3.2079	1.6873	1.0119	5.1628	5.0131	4.3882	4.4242	4.0964	4.7869	3.4577	3.7809
O2	2.4075		1.2274	2.3012	3.1189	2.2976	3.5402	3.5350	2.2843	2.7810	4.1785	4.3466	3.8682	3.6327
C3	1.9951	1.2274		1.3835	2.0757	1.4041	3.1985	3.1501	2.4697	2.4445	3.0513	3.3391	2.6788	2.5006
N4	3.2079	2.3012	1.3835		2.5812	2.3499	2.1093	2.1169	2.0725	1.4557	2.1398	2.0867	2.1018	1.4538
H5	1.6873	3.1189	2.0757	2.5812		1.0123	4.6755	4.3603	4.3474	3.9786	2.6221	3.6189	2.1961	2.5438
N6	1.0119	2.2976	1.4041	2.3499	1.0123		4.3706	4.2833	3.8634	3.6934	3.1677	3.7842	2.4671	2.7800
H7	5.1628	3.5402	3.1985	2.1093	4.6755	4.3706		1.7862	1.7863	1.0996	3.4789	2.4439	3.5757	2.7768
H8	5.0131	3.5350	3.1501	2.1169	4.3603	4.2833	1.7862		1.7892	1.1011	2.9171	2.8307	3.8228	2.7835
H9	4.3882	2.2843	2.4697	2.0725	4.3474	3.8634	1.7863	1.7892		1.0908	3.9133	3.6100	4.1380	3.3892
C10	4.4242	2.7810	2.4445	1.4557	3.9786	3.6934	1.0996	1.1011	1.0908		3.0099	2.5792	3.3640	2.4860
H11	4.0964	4.1785	3.0513	2.1398	2.6221	3.1677	3.4789	2.9171	3.9133	3.0099		1.7770	1.7917	1.1044
H12	4.7869	4.3466	3.3391	2.0867	3.6189	3.7842	2.4439	2.8307	3.6100	2.5792	1.7770		1.7693	1.0965
H13	3.4577	3.8682	2.6788	2.1018	2.1961	2.4671	3.5757	3.8228	4.1380	3.3640	1.7917	1.7693		1.0945
C14	3.7809	3.6327	2.5006	1.4538	2.5438	2.7800	2.7768	2.7835	3.3892	2.4860	1.1044	1.0965	1.0945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.237	H1	N6	H5	112.586
O2	C3	N4	123.286	O2	C3	N6	121.183
C3	N4	C10	118.815	C3	N4	C14	123.941
C3	N6	H5	117.246	N4	C3	N6	115.527
N4	C10	H7	110.657	N4	C10	H8	110.987
N4	C10	H9	108.126	N4	C14	H11	112.744
N4	C14	H12	109.110	N4	C14	H13	110.391
H7	C10	H8	108.431	H7	C10	H9	109.157
H8	C10	H9	109.459	C10	N4	C14	117.201
H11	C14	H12	107.623	H11	C14	H13	109.178
H12	C14	H13	107.630

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)

using model chemistry: B97D3/6-311G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	H	0.223
2	O	-0.396
3	C	0.463
4	N	-0.388
5	H	0.209
6	N	-0.467
7	H	0.111
8	H	0.106
9	H	0.146
10	C	-0.178
11	H	0.111
12	H	0.118
13	H	0.129
14	C	-0.188

	x	y	z	Total
	-1.731	3.166	1.110	3.775
CHELPG
AIM
ESP

	x	y	z
x	9.547	-0.009	-0.028
y	-0.009	8.708	0.209
z	-0.028	0.209	5.642

<r²>	166.997
(<r²>)^1/2	12.923

All results from a given calculation for N(CH3)2CONH2 (Urea, N,N-dimethyl-)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)