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	hartrees
Energy at 0K	-302.121160
Energy at 298.15K	-302.131524
HF Energy	-302.121160
Nuclear repulsion energy	252.944205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3759	3563	41.13
2	A	3636	3446	38.99
3	A	3196	3029	0.34
4	A	3168	3003	10.02
5	A	3108	2945	42.65
6	A	3098	2936	36.17
7	A	3054	2894	52.21
8	A	3038	2879	48.90
9	A	1775	1682	303.17
10	A	1685	1597	120.65
11	A	1596	1512	76.54
12	A	1586	1503	3.81
13	A	1583	1500	13.65
14	A	1573	1491	18.22
15	A	1530	1450	89.18
16	A	1491	1413	23.92
17	A	1450	1374	209.47
18	A	1322	1253	12.43
19	A	1306	1238	83.02
20	A	1196	1133	1.40
21	A	1156	1095	1.62
22	A	1121	1062	12.17
23	A	1093	1036	29.29
24	A	1051	996	40.15
25	A	810	768	91.91
26	A	776	736	1.36
27	A	614	582	5.03
28	A	555	526	137.03
29	A	521	494	14.55
30	A	432	409	43.51
31	A	406	384	108.92
32	A	333	315	21.59
33	A	213	201	3.09
34	A	196	185	1.46
35	A	125	119	0.79
36	A	72	68	14.68

Atom	x (Å)	y (Å)	z (Å)
H1	2.570	0.711	0.087
O2	1.230	-1.356	-0.085
C3	0.761	-0.212	-0.045
N4	-0.591	0.046	-0.018
H5	1.287	1.714	0.613
N6	1.578	0.928	0.039
H7	-2.194	-1.118	-0.752
H8	-2.096	-1.021	1.026
H9	-0.902	-1.990	0.112
C10	-1.506	-1.083	0.102
H11	-1.334	1.824	0.905
H12	-2.126	1.336	-0.605
H13	-0.506	2.039	-0.667
C14	-1.162	1.384	-0.088

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4697	2.0352	3.2324	1.7110	1.0162	5.1720	5.0647	4.3990	4.4540	4.1417	4.7881	3.4339	3.7965
O2	2.4697		1.2376	2.2995	3.1487	2.3134	3.4969	3.5221	2.2327	2.7563	4.2036	4.3337	3.8570	3.6375
C3	2.0352	1.2376		1.3768	2.1015	1.4045	3.1711	3.1560	2.4397	2.4335	3.0719	3.3233	2.6562	2.4993
N4	3.2324	2.2995	1.3768		2.5903	2.3426	2.1125	2.1194	2.0639	1.4582	2.1370	2.0889	2.0973	1.4565
H5	1.7110	3.1487	2.1015	2.5903		1.0159	4.6908	4.3696	4.3314	3.9860	2.6402	3.6442	2.2270	2.5692
N6	1.0162	2.3134	1.4045	2.3426	1.0159		4.3638	4.2741	3.8300	3.6826	3.1682	3.7824	2.4651	2.7812
H7	5.1720	3.4969	3.1711	2.1125	4.6908	4.3638		1.7832	1.7831	1.0969	3.4844	2.4587	3.5808	2.7867
H8	5.0647	3.5221	3.1560	2.1194	4.3696	4.2741	1.7832		1.7885	1.0977	2.9477	2.8660	3.8411	2.8102
H9	4.3990	2.2327	2.4397	2.0639	4.3314	3.8300	1.7831	1.7885		1.0904	3.9198	3.6160	4.1226	3.3903
C10	4.4540	2.7563	2.4335	1.4582	3.9860	3.6826	1.0969	1.0977	1.0904		3.0210	2.5948	3.3669	2.4982
H11	4.1417	4.2036	3.0719	2.1370	2.6402	3.1682	3.4844	2.9477	3.9198	3.0210		1.7738	1.7898	1.1001
H12	4.7881	4.3337	3.3233	2.0889	3.6442	3.7824	2.4587	2.8660	3.6160	2.5948	1.7738		1.7676	1.0950
H13	3.4339	3.8570	2.6562	2.0973	2.2270	2.4651	3.5808	3.8411	4.1226	3.3669	1.7898	1.7676		1.0926
C14	3.7965	3.6375	2.4993	1.4565	2.5692	2.7812	2.7867	2.8102	3.3903	2.4982	1.1001	1.0950	1.0926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	113.461	H1	N6	H5	114.699
O2	C3	N4	123.084	O2	C3	N6	122.104
C3	N4	C10	118.236	C3	N4	C14	123.774
C3	N6	H5	119.649	N4	C3	N6	114.753
N4	C10	H7	110.744	N4	C10	H8	111.247
N4	C10	H9	107.271	N4	C14	H11	112.671
N4	C14	H12	109.090	N4	C14	H13	109.899
H7	C10	H8	108.686	H7	C10	H9	109.221
H8	C10	H9	109.644	C10	N4	C14	117.986
H11	C14	H12	107.817	H11	C14	H13	109.423
H12	C14	H13	107.804

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

using model chemistry: wB97X-D/3-21G*

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	0.341
2	O	-0.561
3	C	0.930
4	N	-0.694
5	H	0.330
6	N	-0.836
7	H	0.206
8	H	0.206
9	H	0.267
10	C	-0.425
11	H	0.211
12	H	0.236
13	H	0.218
14	C	-0.430

	x	y	z	Total
	-1.552	3.903	0.262	4.208
CHELPG
AIM
ESP

	x	y	z
x	7.532	0.046	-0.052
y	0.046	7.067	0.100
z	-0.052	0.100	4.047

<r²>	165.773
(<r²>)^1/2	12.875

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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