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	hartrees
Energy at 0K	-304.001552
Energy at 298.15K	-304.011807
Nuclear repulsion energy	253.825566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3681	3559	27.81
2	A	3574	3454	21.08
3	A	3156	3051	1.33
4	A	3108	3005	12.66
5	A	3067	2965	23.41
6	A	3044	2942	46.17
7	A	3002	2902	71.12
8	A	2976	2877	68.09
9	A	1750	1692	407.21
10	A	1628	1574	130.12
11	A	1540	1489	63.02
12	A	1511	1461	10.67
13	A	1503	1453	9.21
14	A	1502	1451	15.08
15	A	1480	1431	45.76
16	A	1438	1390	8.60
17	A	1424	1377	171.17
18	A	1291	1248	44.08
19	A	1270	1228	37.52
20	A	1172	1133	2.88
21	A	1131	1093	2.54
22	A	1099	1062	56.11
23	A	1083	1047	18.65
24	A	1024	990	33.26
25	A	776	750	39.58
26	A	767	741	2.23
27	A	600	580	15.65
28	A	560	542	164.68
29	A	515	498	6.70
30	A	435	420	34.27
31	A	392	379	14.78
32	A	317	307	11.26
33	A	191	185	3.71
34	A	145	141	1.76
35	A	129	124	3.74
36	A	92	89	2.38

Atom	x (Å)	y (Å)	z (Å)
H1	2.544	0.661	0.164
O2	1.234	-1.337	-0.061
C3	0.761	-0.212	-0.017
N4	-0.589	0.041	-0.036
H5	1.280	1.728	0.501
N6	1.583	0.912	-0.002
H7	-2.207	-1.083	-0.770
H8	-2.099	-1.007	0.998
H9	-0.943	-1.995	0.080
C10	-1.514	-1.073	0.076
H11	-1.296	1.794	0.947
H12	-2.132	1.339	-0.539
H13	-0.530	2.050	-0.638
C14	-1.155	1.375	-0.057

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3994	1.9928	3.1998	1.6883	1.0068	5.1456	5.0029	4.3840	4.4132	4.0796	4.7763	3.4672	3.7730
O2	2.3994		1.2215	2.2854	3.1169	2.2767	3.5223	3.5126	2.2790	2.7641	4.1500	4.3264	3.8626	3.6137
C3	1.9928	1.2215		1.3738	2.0740	1.3921	3.1832	3.1373	2.4688	2.4343	3.0308	3.3234	2.6775	2.4876
N4	3.1998	2.2854	1.3738		2.5750	2.3406	2.1014	2.1086	2.0695	1.4515	2.1310	2.0778	2.0988	1.4490
H5	1.6883	3.1169	2.0740	2.5750		1.0061	4.6554	4.3753	4.3571	3.9789	2.6154	3.5879	2.1629	2.5226
N6	1.0068	2.2767	1.3921	2.3406	1.0061		4.3507	4.2706	3.8522	3.6790	3.1576	3.7775	2.4829	2.7769
H7	5.1456	3.5223	3.1832	2.1014	4.6554	4.3507		1.7729	1.7748	1.0930	3.4712	2.4333	3.5557	2.7662
H8	5.0029	3.5126	3.1373	2.1086	4.3753	4.2706	1.7729		1.7764	1.0944	2.9139	2.8044	3.8060	2.7706
H9	4.3840	2.2790	2.4688	2.0695	4.3571	3.8522	1.7748	1.7764		1.0847	3.9030	3.5928	4.1292	3.3790
C10	4.4132	2.7641	2.4343	1.4515	3.9789	3.6790	1.0930	1.0944	1.0847		3.0039	2.5638	3.3511	2.4769
H11	4.0796	4.1500	3.0308	2.1310	2.6154	3.1576	3.4712	2.9139	3.9030	3.0039		1.7641	1.7795	1.0973
H12	4.7763	4.3264	3.3234	2.0778	3.5879	3.7775	2.4333	2.8044	3.5928	2.5638	1.7641		1.7556	1.0900
H13	3.4672	3.8626	2.6775	2.0988	2.1629	2.4829	3.5557	3.8060	4.1292	3.3511	1.7795	1.7556		1.0884
C14	3.7730	3.6137	2.4876	1.4490	2.5226	2.7769	2.7662	2.7706	3.3790	2.4769	1.0973	1.0900	1.0884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.332	H1	N6	H5	114.021
O2	C3	N4	123.314	O2	C3	N6	121.027
C3	N4	C10	118.967	C3	N4	C14	123.562
C3	N6	H5	118.845	N4	C3	N6	115.604
N4	C10	H7	110.565	N4	C10	H8	111.057
N4	C10	H9	108.505	N4	C14	H11	112.899
N4	C14	H12	109.022	N4	C14	H13	110.806
H7	C10	H8	108.290	H7	C10	H9	109.178
H8	C10	H9	109.218	C10	N4	C14	117.291
H11	C14	H12	107.512	H11	C14	H13	109.005
H12	C14	H13	107.396

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

using model chemistry: B3LYP/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	ESP
1	H	0.156	0.360
2	O	-0.388	-0.553
3	C	0.260	0.570
4	N	-0.073	0.029
5	H	0.144	0.316
6	N	-0.271	-0.781
7	H	0.087	0.112
8	H	0.083	0.105
9	H	0.131	0.139
10	C	-0.205	-0.333
11	H	0.086	0.087
12	H	0.098	0.118
13	H	0.098	0.106
14	C	-0.207	-0.274

	x	y	z	Total
	-1.803	3.362	0.991	3.942
CHELPG
AIM
ESP	-1.839	3.358	1.020	3.962

	x	y	z
x	9.747	-0.008	-0.019
y	-0.008	8.995	0.154
z	-0.019	0.154	6.082

<r²>	166.015
(<r²>)^1/2	12.885

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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