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	hartrees
Energy at 0K	-303.908168
Energy at 298.15K	-303.918338
Nuclear repulsion energy	252.858559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3571	34.70
2	A	3586	3458	23.98
3	A	3176	3062	0.98
4	A	3128	3016	12.72
5	A	3087	2976	23.23
6	A	3066	2956	48.16
7	A	3016	2908	77.21
8	A	2991	2883	69.84
9	A	1747	1685	481.69
10	A	1633	1575	159.20
11	A	1542	1487	80.70
12	A	1514	1460	12.76
13	A	1507	1453	9.66
14	A	1503	1449	17.24
15	A	1483	1430	52.75
16	A	1440	1388	13.11
17	A	1431	1380	169.62
18	A	1294	1248	35.84
19	A	1270	1224	52.03
20	A	1169	1127	3.60
21	A	1129	1088	2.87
22	A	1098	1059	46.92
23	A	1083	1045	24.86
24	A	1030	993	32.55
25	A	769	742	2.04
26	A	764	736	41.09
27	A	596	575	11.04
28	A	555	535	182.64
29	A	515	496	7.31
30	A	430	415	34.69
31	A	389	375	21.39
32	A	313	301	12.08
33	A	191	184	4.26
34	A	147	142	1.60
35	A	119	115	6.00
36	A	83	80	1.45

Atom	x (Å)	y (Å)	z (Å)
H1	2.553	0.666	0.159
O2	1.241	-1.342	-0.061
C3	0.762	-0.209	-0.017
N4	-0.592	0.040	-0.043
H5	1.286	1.745	0.494
N6	1.586	0.916	0.001
H7	-2.217	-1.089	-0.767
H8	-2.096	-1.010	1.009
H9	-0.944	-2.004	0.079
C10	-1.517	-1.078	0.078
H11	-1.267	1.807	0.953
H12	-2.156	1.335	-0.505
H13	-0.554	2.050	-0.670
C14	-1.160	1.379	-0.056

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4085	2.0008	3.2131	1.6973	1.0106	5.1655	5.0141	4.4000	4.4288	4.0647	4.8025	3.5009	3.7866
O2	2.4085		1.2316	2.2964	3.1369	2.2853	3.5384	3.5207	2.2874	2.7748	4.1519	4.3488	3.8866	3.6292
C3	2.0008	1.2316		1.3771	2.0862	1.3946	3.1950	3.1406	2.4782	2.4414	3.0201	3.3374	2.6948	2.4931
N4	3.2131	2.2964	1.3771		2.5928	2.3485	2.1064	2.1142	2.0776	1.4564	2.1377	2.0828	2.1063	1.4543
H5	1.6973	3.1369	2.0862	2.5928		1.0099	4.6785	4.3920	4.3814	4.0002	2.5945	3.6077	2.1987	2.5336
N6	1.0106	2.2853	1.3946	2.3485	1.0099		4.3671	4.2759	3.8644	3.6899	3.1369	3.8000	2.5138	2.7855
H7	5.1655	3.5384	3.1950	2.1064	4.6785	4.3671		1.7820	1.7815	1.0969	3.4996	2.4393	3.5538	2.7770
H8	5.0141	3.5207	3.1406	2.1142	4.3920	4.2759	1.7820		1.7837	1.0985	2.9367	2.7920	3.8158	2.7778
H9	4.4000	2.2874	2.4782	2.0776	4.3814	3.8644	1.7815	1.7837		1.0889	3.9233	3.6005	4.1415	3.3925
C10	4.4288	2.7748	2.4414	1.4564	4.0002	3.6899	1.0969	1.0985	1.0889		3.0256	2.5641	3.3581	2.4867
H11	4.0647	4.1519	3.0201	2.1377	2.5945	3.1369	3.4996	2.9367	3.9233	3.0256		1.7717	1.7890	1.1014
H12	4.8025	4.3488	3.3374	2.0828	3.6077	3.8000	2.4393	2.7920	3.6005	2.5641	1.7717		1.7623	1.0937
H13	3.5009	3.8866	2.6948	2.1063	2.1987	2.5138	3.5538	3.8158	4.1415	3.3581	1.7890	1.7623		1.0930
C14	3.7866	3.6292	2.4931	1.4543	2.5336	2.7855	2.7770	2.7778	3.3925	2.4867	1.1014	1.0937	1.0930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.584	H1	N6	H5	114.286
O2	C3	N4	123.258	O2	C3	N6	120.838
C3	N4	C10	118.972	C3	N4	C14	123.384
C3	N6	H5	119.509	N4	C3	N6	115.844
N4	C10	H7	110.381	N4	C10	H8	110.916
N4	C10	H9	108.557	N4	C14	H11	112.800
N4	C14	H12	108.832	N4	C14	H13	110.765
H7	C10	H8	108.529	H7	C10	H9	109.176
H8	C10	H9	109.256	C10	N4	C14	117.374
H11	C14	H12	107.630	H11	C14	H13	109.221
H12	C14	H13	107.400

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	H	0.317	0.385
2	O	-0.565	-0.591
3	C	0.542	0.639
4	N	-0.219	-0.023
5	H	0.282	0.347
6	N	-0.610	-0.869
7	H	0.141	0.107
8	H	0.141	0.100
9	H	0.196	0.141
10	C	-0.313	-0.305
11	H	0.150	0.072
12	H	0.152	0.109
13	H	0.162	0.091
14	C	-0.375	-0.204

	x	y	z	Total
	-2.098	3.580	1.073	4.286
CHELPG
AIM
ESP	-2.116	3.537	1.100	4.266

	x	y	z
x	9.825	-0.150	-0.076
y	-0.150	9.092	0.110
z	-0.076	0.110	6.375

<r²>	167.383
(<r²>)^1/2	12.938

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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