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	hartrees
Energy at 0K	-302.924150
Energy at 298.15K	-302.934468
HF Energy	-302.034580
Nuclear repulsion energy	253.235510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3702	3491	27.59
2	A	3586	3382	26.70
3	A	3251	3065	0.10
4	A	3218	3035	6.60
5	A	3163	2983	8.14
6	A	3156	2976	49.79
7	A	3089	2913	56.59
8	A	3071	2896	51.19
9	A	1818	1714	359.78
10	A	1683	1587	143.44
11	A	1596	1505	49.71
12	A	1573	1483	15.61
13	A	1563	1474	14.81
14	A	1560	1471	12.92
15	A	1531	1444	83.54
16	A	1484	1399	68.25
17	A	1480	1396	80.23
18	A	1341	1265	33.64
19	A	1305	1231	48.07
20	A	1202	1134	3.57
21	A	1164	1097	4.43
22	A	1140	1075	72.32
23	A	1116	1053	9.07
24	A	1058	998	26.82
25	A	801	756	147.13
26	A	788	743	4.91
27	A	645	608	149.99
28	A	602	568	10.16
29	A	518	488	9.55
30	A	454	428	29.54
31	A	399	376	15.23
32	A	325	307	7.57
33	A	190	179	6.33
34	A	163	154	1.73
35	A	136	128	6.35
36	A	62	59	1.59

Atom	x (Å)	y (Å)	z (Å)
H1	2.527	0.685	0.152
O2	1.257	-1.336	-0.082
C3	0.763	-0.209	-0.010
N4	-0.590	0.037	-0.017
H5	1.259	1.702	0.602
N6	1.558	0.941	0.004
H7	-2.175	-1.110	-0.779
H8	-2.112	-1.005	0.997
H9	-0.917	-1.998	0.118
C10	-1.505	-1.083	0.087
H11	-1.367	1.786	0.917
H12	-2.111	1.311	-0.621
H13	-0.500	2.034	-0.628
C14	-1.164	1.365	-0.078

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3986	1.9843	3.1890	1.6863	1.0134	5.1190	5.0090	4.3661	4.4035	4.1183	4.7444	3.4055	3.7604
O2	2.3986		1.2323	2.3020	3.1135	2.2987	3.5091	3.5524	2.2809	2.7783	4.1980	4.3173	3.8398	3.6265
C3	1.9843	1.2323		1.3757	2.0665	1.3984	3.1682	3.1485	2.4578	2.4328	3.0618	3.3086	2.6477	2.4888
N4	3.1890	2.3020	1.3757		2.5646	2.3316	2.0993	2.1040	2.0652	1.4496	2.1295	2.0742	2.0910	1.4480
H5	1.6863	3.1135	2.0665	2.5646		1.0125	4.6485	4.3411	4.3196	3.9575	2.6463	3.6071	2.1722	2.5392
N6	1.0134	2.2987	1.3984	2.3316	1.0125		4.3313	4.2713	3.8446	3.6729	3.1786	3.7410	2.4149	2.7561
H7	5.1190	3.5091	3.1682	2.0993	4.6485	4.3313		1.7804	1.7822	1.0957	3.4520	2.4269	3.5660	2.7639
H8	5.0090	3.5524	3.1485	2.1040	4.3411	4.2713	1.7804		1.7856	1.0964	2.8891	2.8247	3.8041	2.7692
H9	4.3661	2.2809	2.4578	2.0652	4.3196	3.8446	1.7822	1.7856		1.0881	3.8934	3.5948	4.1220	3.3777
C10	4.4035	2.7783	2.4328	1.4496	3.9575	3.6729	1.0957	1.0964	1.0881		2.9896	2.5692	3.3526	2.4772
H11	4.1183	4.1980	3.0618	2.1295	2.6463	3.1786	3.4520	2.8891	3.8934	2.9896		1.7736	1.7882	1.0994
H12	4.7444	4.3173	3.3086	2.0742	3.6071	3.7410	2.4269	2.8247	3.5948	2.5692	1.7736		1.7662	1.0935
H13	3.4055	3.8398	2.6477	2.0910	2.1722	2.4149	3.5660	3.8041	4.1220	3.3526	1.7882	1.7662		1.0910
C14	3.7604	3.6265	2.4888	1.4480	2.5392	2.7561	2.7639	2.7692	3.3777	2.4772	1.0994	1.0935	1.0910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.695	H1	N6	H5	112.684
O2	C3	N4	123.833	O2	C3	N6	121.676
C3	N4	C10	118.858	C3	N4	C14	123.607
C3	N6	H5	117.096	N4	C3	N6	114.383
N4	C10	H7	110.363	N4	C10	H8	110.704
N4	C10	H9	108.092	N4	C14	H11	112.714
N4	C14	H12	108.593	N4	C14	H13	110.093
H7	C10	H8	108.627	H7	C10	H9	109.396
H8	C10	H9	109.644	C10	N4	C14	117.501
H11	C14	H12	107.954	H11	C14	H13	109.448
H12	C14	H13	107.897

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

using model chemistry: MP2/6-31G*

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

using model chemistry: MP2/6-31G*

States and conformations

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