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	hartrees
Energy at 0K	-303.854627
Energy at 298.15K	-303.864922
Nuclear repulsion energy	255.499387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3729	3569	34.26
2	A	3614	3459	22.91
3	A	3184	3047	0.78
4	A	3141	3006	11.85
5	A	3100	2967	18.31
6	A	3082	2949	44.74
7	A	3031	2901	69.00
8	A	3004	2876	64.00
9	A	1792	1715	435.59
10	A	1622	1552	165.15
11	A	1547	1480	101.90
12	A	1514	1449	17.08
13	A	1505	1441	2.82
14	A	1499	1435	14.68
15	A	1482	1418	59.40
16	A	1440	1378	112.77
17	A	1430	1368	9.53
18	A	1327	1270	23.68
19	A	1281	1226	50.31
20	A	1170	1120	2.97
21	A	1130	1081	3.14
22	A	1102	1055	35.46
23	A	1091	1044	14.37
24	A	1041	997	34.55
25	A	785	752	16.24
26	A	784	750	23.09
27	A	604	579	10.62
28	A	551	527	168.27
29	A	512	490	3.78
30	A	430	411	35.61
31	A	392	375	18.86
32	A	324	310	11.62
33	A	185	177	3.41
34	A	158	151	1.86
35	A	123	118	4.22
36	A	106	101	2.50

Atom	x (Å)	y (Å)	z (Å)
H1	2.522	0.666	0.171
O2	1.222	-1.337	-0.053
C3	0.754	-0.215	-0.017
N4	-0.587	0.040	-0.036
H5	1.244	1.725	0.471
N6	1.564	0.904	-0.008
H7	-2.209	-1.057	-0.765
H8	-2.076	-1.017	1.000
H9	-0.934	-1.982	0.048
C10	-1.507	-1.063	0.069
H11	-1.185	1.823	0.946
H12	-2.140	1.336	-0.450
H13	-0.546	2.020	-0.700
C14	-1.130	1.372	-0.051

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3976	1.9846	3.1785	1.6874	1.0036	5.1218	4.9665	4.3554	4.3853	3.9606	4.7514	3.4651	3.7264
O2	2.3976		1.2160	2.2741	3.1067	2.2675	3.5160	3.4774	2.2529	2.7456	4.0961	4.3138	3.8490	3.5875
C3	1.9846	1.2160		1.3653	2.0603	1.3822	3.1700	3.1123	2.4442	2.4158	2.9734	3.3120	2.6744	2.4634
N4	3.1785	2.2741	1.3653		2.5399	2.3186	2.0899	2.0996	2.0537	1.4401	2.1212	2.0643	2.0885	1.4380
H5	1.6874	3.1067	2.0603	2.5399		1.0031	4.6043	4.3388	4.3207	3.9375	2.4772	3.5292	2.1593	2.4562
N6	1.0036	2.2675	1.3822	2.3186	1.0031		4.3199	4.2380	3.8177	3.6479	3.0517	3.7557	2.4851	2.7346
H7	5.1218	3.5160	3.1700	2.0899	4.6043	4.3199		1.7699	1.7726	1.0905	3.5031	2.4149	3.4991	2.7528
H8	4.9665	3.4774	3.1123	2.0996	4.3388	4.2380	1.7699		1.7731	1.0919	2.9769	2.7638	3.8019	2.7758
H9	4.3554	2.2529	2.4442	2.0537	4.3207	3.8177	1.7726	1.7731		1.0834	3.9178	3.5654	4.0900	3.3613
C10	4.3853	2.7456	2.4158	1.4401	3.9375	3.6479	1.0905	1.0919	1.0834		3.0332	2.5346	3.3197	2.4668
H11	3.9606	4.0961	2.9734	2.1212	2.4772	3.0517	3.5031	2.9769	3.9178	3.0332		1.7597	1.7764	1.0950
H12	4.7514	4.3138	3.3120	2.0643	3.5292	3.7557	2.4149	2.7638	3.5654	2.5346	1.7597		1.7532	1.0872
H13	3.4651	3.8490	2.6744	2.0885	2.1593	2.4851	3.4991	3.8019	4.0900	3.3197	1.7764	1.7532		1.0875
C14	3.7264	3.5875	2.4634	1.4380	2.4562	2.7346	2.7528	2.7758	3.3613	2.4668	1.0950	1.0872	1.0875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.596	H1	N6	H5	114.474
O2	C3	N4	123.419	O2	C3	N6	121.424
C3	N4	C10	118.864	C3	N4	C14	122.963
C3	N6	H5	118.622	N4	C3	N6	115.108
N4	C10	H7	110.588	N4	C10	H8	111.294
N4	C10	H9	108.111	N4	C14	H11	113.045
N4	C14	H12	108.879	N4	C14	H13	110.812
H7	C10	H8	108.378	H7	C10	H9	109.253
H8	C10	H9	109.189	C10	N4	C14	117.985
H11	C14	H12	107.493	H11	C14	H13	108.958
H12	C14	H13	107.449

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

using model chemistry: B1B95/cc-pVTZ

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	0.172
2	O	-0.392
3	C	0.250
4	N	-0.045
5	H	0.163
6	N	-0.297
7	H	0.105
8	H	0.104
9	H	0.147
10	C	-0.271
11	H	0.109
12	H	0.116
13	H	0.120
14	C	-0.281

	x	y	z	Total
	-1.794	3.401	0.961	3.963
CHELPG
AIM
ESP

	x	y	z
x	9.503	-0.004	-0.028
y	-0.004	8.841	0.133
z	-0.028	0.133	5.999

<r²>	163.592
(<r²>)^1/2	12.790

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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