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	hartrees
Energy at 0K	-303.877383
Energy at 298.15K	-303.887660
Nuclear repulsion energy	252.997113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3511	21.71
2	A	3558	3409	16.43
3	A	3190	3056	0.91
4	A	3142	3010	11.72
5	A	3087	2957	26.25
6	A	3069	2940	51.48
7	A	3024	2897	71.09
8	A	2999	2873	66.98
9	A	1793	1718	361.47
10	A	1660	1591	123.07
11	A	1564	1499	44.81
12	A	1538	1473	15.01
13	A	1529	1465	14.37
14	A	1528	1464	11.40
15	A	1501	1437	58.11
16	A	1455	1394	7.59
17	A	1445	1385	171.90
18	A	1307	1252	43.37
19	A	1283	1230	42.24
20	A	1184	1134	3.15
21	A	1143	1095	3.48
22	A	1118	1071	68.27
23	A	1096	1050	11.55
24	A	1037	993	35.34
25	A	782	749	92.56
26	A	774	741	2.33
27	A	616	590	146.32
28	A	595	570	39.94
29	A	515	493	8.46
30	A	445	427	29.24
31	A	393	377	14.74
32	A	320	306	9.52
33	A	195	186	5.95
34	A	153	147	1.48
35	A	134	128	4.98
36	A	89	85	1.89

Atom	x (Å)	y (Å)	z (Å)
H1	2.547	0.658	0.152
O2	1.242	-1.338	-0.078
C3	0.764	-0.209	-0.016
N4	-0.593	0.041	-0.019
H5	1.296	1.701	0.589
N6	1.582	0.926	0.004
H7	-2.197	-1.100	-0.772
H8	-2.111	-1.014	1.005
H9	-0.927	-1.998	0.100
C10	-1.511	-1.080	0.086
H11	-1.370	1.795	0.923
H12	-2.117	1.332	-0.617
H13	-0.503	2.050	-0.620
C14	-1.166	1.373	-0.075

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3959	1.9906	3.2046	1.6864	1.0123	5.1431	5.0225	4.3738	4.4156	4.1509	4.7746	3.4405	3.7879
O2	2.3959		1.2269	2.2957	3.1116	2.2903	3.5162	3.5384	2.2741	2.7703	4.1994	4.3242	3.8491	3.6257
C3	1.9906	1.2269		1.3793	2.0738	1.3997	3.1825	3.1551	2.4640	2.4379	3.0742	3.3217	2.6598	2.4962
N4	3.2046	2.2957	1.3793		2.5871	2.3480	2.1075	2.1138	2.0701	1.4529	2.1369	2.0850	2.0989	1.4513
H5	1.6864	3.1116	2.0738	2.5871		1.0124	4.6795	4.3768	4.3437	3.9834	2.6884	3.6383	2.1953	2.5706
N6	1.0123	2.2903	1.3997	2.3480	1.0124		4.3573	4.2902	3.8542	3.6876	3.2114	3.7725	2.4497	2.7851
H7	5.1431	3.5162	3.1825	2.1075	4.6795	4.3573		1.7807	1.7833	1.0982	3.4544	2.4382	3.5798	2.7687
H8	5.0225	3.5384	3.1551	2.1138	4.3768	4.2902	1.7807		1.7862	1.0992	2.9064	2.8529	3.8233	2.7859
H9	4.3738	2.2741	2.4640	2.0701	4.3437	3.8542	1.7833	1.7862		1.0892	3.9066	3.6088	4.1339	3.3848
C10	4.4156	2.7703	2.4379	1.4529	3.9834	3.6876	1.0982	1.0992	1.0892		2.9969	2.5841	3.3631	2.4824
H11	4.1509	4.1994	3.0742	2.1369	2.6884	3.2114	3.4544	2.9064	3.9066	2.9969		1.7731	1.7878	1.1021
H12	4.7746	4.3242	3.3217	2.0850	3.6383	3.7725	2.4382	2.8529	3.6088	2.5841	1.7731		1.7661	1.0956
H13	3.4405	3.8491	2.6598	2.0989	2.1953	2.4497	3.5798	3.8233	4.1339	3.3631	1.7878	1.7661		1.0927
C14	3.7879	3.6257	2.4962	1.4513	2.5706	2.7851	2.7687	2.7859	3.3848	2.4824	1.1021	1.0956	1.0927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.200	H1	N6	H5	112.792
O2	C3	N4	123.391	O2	C3	N6	121.233
C3	N4	C10	118.786	C3	N4	C14	123.715
C3	N6	H5	117.672	N4	C3	N6	115.321
N4	C10	H7	110.637	N4	C10	H8	111.084
N4	C10	H9	108.191	N4	C14	H11	112.907
N4	C14	H12	109.102	N4	C14	H13	110.390
H7	C10	H8	108.268	H7	C10	H9	109.223
H8	C10	H9	109.415	C10	N4	C14	117.464
H11	C14	H12	107.565	H11	C14	H13	109.085
H12	C14	H13	107.617

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

using model chemistry: B3LYPultrafine/6-31G*

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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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	0.338
2	O	-0.531
3	C	0.696
4	N	-0.407
5	H	0.321
6	N	-0.762
7	H	0.148
8	H	0.145
9	H	0.206
10	C	-0.316
11	H	0.148
12	H	0.164
13	H	0.178
14	C	-0.328

	x	y	z	Total
	-1.695	3.157	1.202	3.779
CHELPG
AIM
ESP

	x	y	z
x	8.663	-0.062	-0.048
y	-0.062	7.826	0.243
z	-0.048	0.243	4.905

<r²>	166.385
(<r²>)^1/2	12.899

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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