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	hartrees
Energy at 0K	-301.954345
Energy at 298.15K	-301.964934
Nuclear repulsion energy	253.384742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4034	3632	58.79
2	A	3879	3492	63.20
3	A	3373	3037	2.02
4	A	3325	2994	30.88
5	A	3266	2941	78.13
6	A	3256	2932	48.88
7	A	3204	2885	67.41
8	A	3192	2874	75.11
9	A	1824	1643	275.99
10	A	1763	1588	497.50
11	A	1678	1511	104.10
12	A	1670	1503	4.44
13	A	1664	1498	0.95
14	A	1658	1493	20.55
15	A	1632	1470	91.42
16	A	1598	1439	18.80
17	A	1573	1416	270.10
18	A	1402	1262	70.89
19	A	1391	1253	15.49
20	A	1282	1155	3.42
21	A	1238	1115	0.08
22	A	1202	1082	22.03
23	A	1178	1060	48.38
24	A	1119	1008	25.73
25	A	857	771	134.31
26	A	809	728	0.50
27	A	637	573	11.96
28	A	615	554	210.34
29	A	551	496	13.34
30	A	473	425	141.26
31	A	429	387	4.70
32	A	335	302	11.44
33	A	251	226	4.62
34	A	165	149	0.23
35	A	108	97	0.23
36	A	89	80	14.29

Atom	x (Å)	y (Å)	z (Å)
H1	-2.568	0.678	0.000
O2	-1.222	-1.359	0.000
C3	-0.754	-0.207	0.000
N4	0.590	0.047	0.000
H5	-1.294	1.819	-0.000
N6	-1.595	0.876	-0.000
H7	2.163	-1.040	0.882
H8	2.163	-1.039	-0.882
H9	0.981	-1.998	-0.000
C10	1.533	-1.075	-0.000
H11	0.838	1.959	-0.884
H12	2.212	1.343	-0.000
H13	0.839	1.958	0.884
C14	1.134	1.403	0.000

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4412	2.0183	3.2203	1.7097	0.9929	5.1093	5.1095	4.4445	4.4595	3.7442	4.8254	3.7448	3.7721
O2	2.4412		1.2429	2.2940	3.1786	2.2660	3.5124	3.5128	2.2938	2.7697	4.0039	4.3692	4.0041	3.6302
C3	2.0183	1.2429		1.3682	2.0972	1.3717	3.1588	3.1590	2.4932	2.4459	2.8298	3.3465	2.8301	2.4815
N4	3.2203	2.2940	1.3682		2.5864	2.3370	2.1054	2.1054	2.0824	1.4655	2.1203	2.0754	2.1203	1.4603
H5	1.7097	3.1786	2.0972	2.5864		0.9894	4.5717	4.5716	4.4436	4.0455	2.3123	3.5383	2.3131	2.4639
N6	0.9929	2.2660	1.3717	2.3370	0.9894		4.3090	4.3091	3.8595	3.6863	2.8054	3.8350	2.8061	2.7793
H7	5.1093	3.5124	3.1588	2.1054	4.5717	4.3090		1.7647	1.7591	1.0847	3.7237	2.5412	3.2775	2.7930
H8	5.1095	3.5128	3.1590	2.1054	4.5716	4.3091	1.7647		1.7591	1.0847	3.2778	2.5403	3.7230	2.7927
H9	4.4445	2.2938	2.4932	2.0824	4.4436	3.8595	1.7591	1.7591		1.0759	4.0567	3.5603	4.0567	3.4041
C10	4.4595	2.7697	2.4459	1.4655	4.0455	3.6863	1.0847	1.0847	1.0759		3.2351	2.5108	3.2348	2.5091
H11	3.7442	4.0039	2.8298	2.1203	2.3123	2.8054	3.7237	3.2778	4.0567	3.2351		1.7458	1.7682	1.0855
H12	4.8254	4.3692	3.3465	2.0754	3.5383	3.8350	2.5412	2.5403	3.5603	2.5108	1.7458		1.7458	1.0792
H13	3.7448	4.0041	2.8301	2.1203	2.3131	2.8061	3.2775	3.7230	4.0567	3.2348	1.7682	1.7458		1.0855
C14	3.7721	3.6302	2.4815	1.4603	2.4639	2.7793	2.7930	2.7927	3.4041	2.5091	1.0855	1.0792	1.0855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	116.288	H1	N6	H5	119.198
O2	C3	N4	122.861	O2	C3	N6	120.071
C3	N4	C10	119.300	C3	N4	C14	122.607
C3	N6	H5	124.514	N4	C3	N6	117.068
N4	C10	H7	110.409	N4	C10	H8	110.405
N4	C10	H9	109.087	N4	C14	H11	111.946
N4	C14	H12	108.688	N4	C14	H13	111.947
H7	C10	H8	108.875	H7	C10	H9	109.017
H8	C10	H9	109.019	C10	N4	C14	118.093
H11	C14	H12	107.500	H11	C14	H13	109.063
H12	C14	H13	107.501

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

using model chemistry: HF/SDD

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	0.395
2	O	-0.519
3	C	0.645
4	N	-0.397
5	H	0.378
6	N	-0.852
7	H	0.189
8	H	0.189
9	H	0.273
10	C	-0.453
11	H	0.203
12	H	0.210
13	H	0.204
14	C	-0.466

	x	y	z	Total
	2.353	4.719	0.000	5.273
CHELPG
AIM
ESP

	x	y	z
x	7.222	0.160	0.000
y	0.160	7.047	0.000
z	0.000	0.000	4.632

<r²>	166.995
(<r²>)^1/2	12.923

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

using model chemistry: HF/SDD

States and conformations

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