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	hartrees
Energy at 0K	-56.066457
Energy at 298.15K	-56.077000
Nuclear repulsion energy	141.296641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4002	3652	41.25
2	A	3842	3506	46.15
3	A	3331	3039	2.22
4	A	3281	2994	30.81
5	A	3220	2938	76.25
6	A	3208	2927	59.61
7	A	3150	2874	66.89
8	A	3137	2863	75.44
9	A	1816	1658	238.44
10	A	1741	1589	523.36
11	A	1667	1521	82.28
12	A	1653	1508	2.78
13	A	1653	1508	1.55
14	A	1643	1499	17.14
15	A	1619	1477	92.27
16	A	1582	1443	21.02
17	A	1559	1423	272.73
18	A	1394	1272	51.47
19	A	1382	1261	36.37
20	A	1274	1162	4.93
21	A	1229	1122	0.16
22	A	1194	1089	23.07
23	A	1171	1069	50.44
24	A	1109	1012	20.50
25	A	831	759	97.92
26	A	801	731	0.75
27	A	629	574	11.76
28	A	586	535	144.18
29	A	546	498	13.41
30	A	439	401	197.15
31	A	424	387	4.43
32	A	331	302	11.42
33	A	243	221	2.54
34	A	164	150	0.19
35	A	103	94	1.27
36	A	87	79	14.56

Atom	x (Å)	y (Å)	z (Å)
H1	-2.617	0.552	0.000
O2	-1.184	-1.435	-0.000
C3	-0.763	-0.257	-0.000
N4	0.575	0.056	-0.000
H5	-1.394	1.748	0.000
N6	-1.655	0.793	-0.000
H7	2.194	-0.969	0.885
H8	2.195	-0.968	-0.884
H9	1.049	-1.977	-0.001
C10	1.565	-1.031	0.000
H11	0.740	1.982	-0.885
H12	2.143	1.420	-0.001
H13	0.742	1.981	0.886
C14	1.062	1.437	-0.000

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4501	2.0228	3.2302	1.7101	0.9921	5.1227	5.1232	4.4540	4.4720	3.7545	4.8389	3.7560	3.7841
O2	2.4501		1.2511	2.3056	3.1896	2.2777	3.5230	3.5237	2.2981	2.7791	4.0199	4.3848	4.0205	3.6463
C3	2.0228	1.2511		1.3740	2.1015	1.3777	3.1677	3.1681	2.4986	2.4538	2.8379	3.3558	2.8388	2.4903
N4	3.2302	2.3056	1.3740		2.5959	2.3484	2.1105	2.1105	2.0870	1.4703	2.1260	2.0793	2.1261	1.4649
H5	1.7101	3.1896	2.1015	2.5959		0.9891	4.5865	4.5867	4.4543	4.0593	2.3221	3.5524	2.3239	2.4758
N6	0.9921	2.2777	1.3777	2.3484	0.9891		4.3245	4.3247	3.8711	3.7009	2.8159	3.8494	2.8175	2.7921
H7	5.1227	3.5230	3.1677	2.1105	4.5865	4.3245		1.7683	1.7633	1.0869	3.7352	2.5489	3.2881	2.8023
H8	5.1232	3.5237	3.1681	2.1105	4.5867	4.3247	1.7683		1.7633	1.0869	3.2892	2.5472	3.7339	2.8017
H9	4.4540	2.2981	2.4986	2.0870	4.4543	3.8711	1.7633	1.7633		1.0775	4.0678	3.5691	4.0675	3.4139
C10	4.4720	2.7791	2.4538	1.4703	4.0593	3.7009	1.0869	1.0869	1.0775		3.2465	2.5186	3.2457	2.5187
H11	3.7545	4.0199	2.8379	2.1260	2.3221	2.8159	3.7352	3.2892	4.0678	3.2465		1.7508	1.7710	1.0879
H12	4.8389	4.3848	3.3558	2.0793	3.5524	3.8494	2.5489	2.5472	3.5691	2.5186	1.7508		1.7509	1.0812
H13	3.7560	4.0205	2.8388	2.1261	2.3239	2.8175	3.2881	3.7339	4.0675	3.2457	1.7710	1.7509		1.0879
C14	3.7841	3.6463	2.4903	1.4649	2.4758	2.7921	2.8023	2.8017	3.4139	2.5187	1.0879	1.0812	1.0879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	116.255	H1	N6	H5	119.347
O2	C3	N4	122.809	O2	C3	N6	120.017
C3	N4	C10	119.210	C3	N4	C14	122.584
C3	N6	H5	124.398	N4	C3	N6	117.174
N4	C10	H7	110.347	N4	C10	H8	110.341
N4	C10	H9	109.022	N4	C14	H11	111.929
N4	C14	H12	108.557	N4	C14	H13	111.934
H7	C10	H8	108.878	H7	C10	H9	109.113
H8	C10	H9	109.115	C10	N4	C14	118.206
H11	C14	H12	107.635	H11	C14	H13	108.962
H12	C14	H13	107.640

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

using model chemistry: HF/CEP-121G

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	0.369
2	O	-0.410
3	C	0.276
4	N	-0.256
5	H	0.353
6	N	-0.669
7	H	0.157
8	H	0.157
9	H	0.235
10	C	-0.354
11	H	0.170
12	H	0.176
13	H	0.170
14	C	-0.374

	x	y	z	Total
	2.169	4.828	0.001	5.293
CHELPG
AIM
ESP

	x	y	z
x	7.620	0.154	0.000
y	0.154	7.424	0.000
z	0.000	0.000	5.177

<r²>	139.106
(<r²>)^1/2	11.794

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

using model chemistry: HF/CEP-121G

States and conformations

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