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	hartrees
Energy at 0K	-302.085853
Energy at 298.15K	-302.096440
Nuclear repulsion energy	255.686113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3937	3585	40.57
2	A	3815	3474	36.38
3	A	3330	3033	5.85
4	A	3276	2983	33.36
5	A	3234	2945	61.83
6	A	3232	2943	24.32
7	A	3164	2882	60.29
8	A	3153	2871	66.30
9	A	1889	1720	550.04
10	A	1761	1604	189.19
11	A	1635	1489	119.03
12	A	1609	1465	9.63
13	A	1605	1461	9.87
14	A	1600	1457	5.11
15	A	1588	1446	25.87
16	A	1550	1412	17.45
17	A	1537	1400	200.60
18	A	1404	1278	33.28
19	A	1369	1247	26.68
20	A	1256	1143	9.63
21	A	1209	1101	3.62
22	A	1194	1087	52.72
23	A	1161	1058	25.49
24	A	1104	1005	24.70
25	A	871	793	55.91
26	A	830	756	7.39
27	A	648	590	15.92
28	A	589	536	138.68
29	A	550	501	6.24
30	A	454	413	9.08
31	A	415	378	74.92
32	A	351	320	13.15
33	A	233	212	13.86
34	A	150	136	1.57
35	A	128	116	4.29
36	A	83	75	7.65

Atom	x (Å)	y (Å)	z (Å)
H1	-2.554	0.592	-0.060
O2	-1.168	-1.344	0.083
C3	-0.745	-0.221	-0.024
N4	0.585	0.064	-0.183
H5	-1.351	1.700	-0.439
N6	-1.598	0.859	0.031
H7	1.793	-1.183	1.032
H8	2.416	-0.834	-0.592
H9	1.062	-1.953	-0.380
C10	1.516	-1.041	-0.017
H11	0.654	2.147	-0.536
H12	2.171	1.390	-0.121
H13	0.971	1.679	1.143
C14	1.108	1.388	0.099

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3853	1.9833	3.1850	1.6787	0.9967	4.8206	5.1974	4.4329	4.3847	3.5959	4.7922	3.8800	3.7502
O2	2.3853		1.2054	2.2641	3.0945	2.2454	3.1135	3.6826	2.3573	2.7026	3.9860	4.3209	3.8525	3.5560
C3	1.9833	1.2054		1.3690	2.0568	1.3769	2.9123	3.2695	2.5281	2.4045	2.7968	3.3328	2.8136	2.4566
N4	3.1850	2.2641	1.3690		2.5480	2.3327	2.1193	2.0798	2.0817	1.4538	2.1137	2.0689	2.1259	1.4517
H5	1.6787	3.0945	2.0568	2.5480		0.9946	4.5129	4.5427	4.3787	3.9887	2.0563	3.5502	2.8104	2.5363
N6	0.9967	2.2454	1.3769	2.3327	0.9946		4.0830	4.4003	3.8921	3.6474	2.6548	3.8091	2.9173	2.7574
H7	4.8206	3.1135	2.9123	2.1193	4.5129	4.0830		1.7739	1.7661	1.0938	3.8530	2.8453	2.9805	2.8202
H8	5.1974	3.6826	3.2695	2.0798	4.5427	4.4003	1.7739		1.7697	1.0884	3.4628	2.2868	3.3787	2.6697
H9	4.4329	2.3573	2.5281	2.0817	4.3787	3.8921	1.7661	1.7697		1.0818	4.1229	3.5322	3.9398	3.3757
C10	4.3847	2.7026	2.4045	1.4538	3.9887	3.6474	1.0938	1.0884	1.0818		3.3423	2.5200	3.0067	2.4656
H11	3.5959	3.9860	2.7968	2.1137	2.0563	2.6548	3.8530	3.4628	4.1229	3.3423		1.7456	1.7722	1.0885
H12	4.7922	4.3209	3.3328	2.0689	3.5502	3.8091	2.8453	2.2868	3.5322	2.5200	1.7456		1.7668	1.0860
H13	3.8800	3.8525	2.8136	2.1259	2.8104	2.9173	2.9805	3.3787	3.9398	3.0067	1.7722	1.7668		1.0927
C14	3.7502	3.5560	2.4566	1.4517	2.5363	2.7574	2.8202	2.6697	3.3757	2.4656	1.0885	1.0860	1.0927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	112.365	H1	N6	H5	114.923
O2	C3	N4	123.023	O2	C3	N6	120.655
C3	N4	C10	116.784	C3	N4	C14	121.104
C3	N6	H5	119.417	N4	C3	N6	116.315
N4	C10	H7	111.805	N4	C10	H8	108.946
N4	C10	H9	109.488	N4	C14	H11	111.835
N4	C14	H12	108.366	N4	C14	H13	112.581
H7	C10	H8	108.764	H7	C10	H9	108.538
H8	C10	H9	109.263	C10	N4	C14	116.119
H11	C14	H12	106.785	H11	C14	H13	108.678
H12	C14	H13	108.376

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

using model chemistry: HF/aug-cc-pVDZ

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	-0.044
2	O	-0.736
3	C	0.901
4	N	-0.605
5	H	-0.022
6	N	-0.174
7	H	-0.039
8	H	-0.166
9	H	-0.172
10	C	0.711
11	H	-0.171
12	H	-0.234
13	H	-0.064
14	C	0.815

	x	y	z	Total
	1.756	3.664	-0.739	4.130
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	163.440
(<r²>)^1/2	12.784

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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