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	hartrees
Energy at 0K	-302.952815
Energy at 298.15K	-302.963190
HF Energy	-302.035650
Nuclear repulsion energy	254.095880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3501	24.84
2	A	3623	3401	25.95
3	A	3248	3049	2.58
4	A	3201	3005	22.58
5	A	3172	2977	29.58
6	A	3166	2972	28.86
7	A	3090	2901	45.13
8	A	3084	2895	39.57
9	A	1866	1752	391.55
10	A	1698	1594	156.85
11	A	1584	1487	72.88
12	A	1562	1466	22.15
13	A	1558	1462	6.12
14	A	1557	1462	18.88
15	A	1539	1445	38.17
16	A	1496	1404	4.33
17	A	1485	1394	187.77
18	A	1340	1257	28.68
19	A	1313	1233	19.40
20	A	1207	1133	11.42
21	A	1160	1089	6.02
22	A	1155	1084	57.45
23	A	1113	1045	16.20
24	A	1061	996	23.21
25	A	815	765	109.18
26	A	806	756	9.70
27	A	655	615	167.81
28	A	612	574	29.80
29	A	521	489	4.67
30	A	453	426	23.54
31	A	413	387	30.72
32	A	335	314	9.82
33	A	229	215	22.48
34	A	152	143	2.53
35	A	128	120	0.87
36	A	52	49	7.37

Atom	x (Å)	y (Å)	z (Å)
H1	-2.563	0.586	-0.056
O2	-1.171	-1.354	0.127
C3	-0.748	-0.218	-0.025
N4	0.589	0.072	-0.222
H5	-1.380	1.654	-0.604
N6	-1.598	0.884	0.013
H7	1.773	-1.194	1.013
H8	2.422	-0.843	-0.611
H9	1.039	-1.951	-0.415
C10	1.510	-1.044	-0.043
H11	0.610	2.186	-0.388
H12	2.171	1.412	-0.159
H13	1.058	1.575	1.220
C14	1.122	1.381	0.142

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3942	1.9852	3.1976	1.6852	1.0120	4.8070	5.2152	4.4201	4.3869	3.5693	4.8068	3.9650	3.7749
O2	2.3942		1.2215	2.2922	3.1026	2.2813	3.0783	3.7035	2.3526	2.7043	3.9963	4.3478	3.8399	3.5687
C3	1.9852	1.2215		1.3822	2.0591	1.3928	2.8955	3.2836	2.5196	2.4044	2.7851	3.3462	2.8338	2.4659
N4	3.1976	2.2922	1.3822		2.5544	2.3449	2.1286	2.0856	2.0821	1.4586	2.1203	2.0741	2.1353	1.4587
H5	1.6852	3.1026	2.0591	2.5544		1.0108	4.5461	4.5490	4.3459	3.9937	2.0717	3.5874	3.0465	2.6255
N6	1.0120	2.2813	1.3928	2.3449	1.0108		4.0843	4.4201	3.8960	3.6584	2.5951	3.8103	2.9986	2.7683
H7	4.8070	3.0783	2.8955	2.1286	4.5461	4.0843		1.7844	1.7750	1.0983	3.8394	2.8853	2.8674	2.7946
H8	5.2152	3.7035	3.2836	2.0856	4.5490	4.4201	1.7844		1.7830	1.0932	3.5368	2.3138	3.3263	2.6837
H9	4.4201	2.3526	2.5196	2.0821	4.3459	3.8960	1.7750	1.7830		1.0877	4.1596	3.5580	3.8872	3.3790
C10	4.3869	2.7043	2.4044	1.4586	3.9937	3.6584	1.0983	1.0932	1.0877		3.3710	2.5463	2.9429	2.4624
H11	3.5693	3.9963	2.7851	2.1203	2.0717	2.5951	3.8394	3.5368	4.1596	3.3710		1.7574	1.7782	1.0919
H12	4.8068	4.3478	3.3462	2.0741	3.5874	3.8103	2.8853	2.3138	3.5580	2.5463	1.7574		1.7801	1.0920
H13	3.9650	3.8399	2.8338	2.1353	3.0465	2.9986	2.8674	3.3263	3.8872	2.9429	1.7782	1.7801		1.0978
C14	3.7749	3.5687	2.4659	1.4587	2.6255	2.7683	2.7946	2.6837	3.3790	2.4624	1.0919	1.0920	1.0978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.275	H1	N6	H5	112.840
O2	C3	N4	123.250	O2	C3	N6	121.391
C3	N4	C10	115.616	C3	N4	C14	120.432
C3	N6	H5	117.001	N4	C3	N6	115.349
N4	C10	H7	111.940	N4	C10	H8	108.788
N4	C10	H9	108.835	N4	C14	H11	111.656
N4	C14	H12	107.953	N4	C14	H13	112.525
H7	C10	H8	109.015	H7	C10	H9	108.571
H8	C10	H9	109.672	C10	N4	C14	115.148
H11	C14	H12	107.164	H11	C14	H13	108.601
H12	C14	H13	108.764

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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