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	hartrees
Energy at 0K	-302.196067
Energy at 298.15K	-302.206344
Nuclear repulsion energy	253.521483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3698	3623	47.39
2	A	3557	3485	32.22
3	A	3092	3029	0.92
4	A	3079	3017	7.49
5	A	3026	2964	34.62
6	A	3006	2945	32.18
7	A	2958	2898	69.31
8	A	2929	2870	61.19
9	A	1720	1686	306.34
10	A	1601	1568	258.39
11	A	1535	1504	131.87
12	A	1490	1460	26.32
13	A	1486	1456	14.49
14	A	1472	1442	19.97
15	A	1466	1436	58.34
16	A	1414	1385	33.60
17	A	1405	1377	50.69
18	A	1322	1295	4.40
19	A	1281	1255	36.74
20	A	1154	1131	2.89
21	A	1107	1085	2.58
22	A	1075	1053	5.75
23	A	1057	1036	8.08
24	A	1033	1012	47.67
25	A	785	769	4.55
26	A	758	742	73.06
27	A	601	589	5.75
28	A	560	549	164.62
29	A	507	497	13.96
30	A	443	434	91.63
31	A	391	383	30.55
32	A	320	313	17.00
33	A	210	206	5.44
34	A	176	173	0.95
35	A	150	147	2.05
36	A	70	69	10.25

Atom	x (Å)	y (Å)	z (Å)
H1	-2.553	0.749	0.015
O2	-1.239	-1.353	-0.044
C3	-0.756	-0.196	-0.009
N4	0.600	0.043	-0.018
H5	-1.210	1.860	0.188
N6	-1.553	0.918	0.036
H7	2.072	-1.106	0.986
H8	2.184	-1.106	-0.809
H9	0.843	-1.990	0.009
C10	1.484	-1.092	0.048
H11	0.633	2.009	-0.777
H12	2.210	1.315	-0.348
H13	1.124	1.875	0.952
C14	1.154	1.370	-0.038

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4795	2.0306	3.2317	1.7524	1.0144	5.0771	5.1539	4.3630	4.4373	3.5165	4.8105	3.9588	3.7591
O2	2.4795		1.2546	2.3095	3.2219	2.2941	3.4767	3.5166	2.1782	2.7371	3.9171	4.3712	4.1233	3.6252
C3	2.0306	1.2546		1.3771	2.1148	1.3706	3.1332	3.1799	2.4033	2.4133	2.7162	3.3457	2.9580	2.4698
N4	3.2317	2.3095	1.3771		2.5730	2.3251	2.1197	2.1106	2.0474	1.4403	2.1074	2.0779	2.1383	1.4379
H5	1.7524	3.2219	2.1148	2.5730		1.0145	4.4949	4.6162	4.3668	3.9991	2.0850	3.5041	2.4559	2.4242
N6	1.0144	2.2941	1.3706	2.3251	1.0145		4.2594	4.3334	3.7681	3.6423	2.5747	3.8036	2.9876	2.7455
H7	5.0771	3.4767	3.1332	2.1197	4.4949	4.2594		1.7979	1.8015	1.1074	3.8571	2.7671	3.1283	2.8319
H8	5.1539	3.5166	3.1799	2.1106	4.6162	4.3334	1.7979		1.8025	1.1064	3.4796	2.4642	3.6210	2.7905
H9	4.3630	2.1782	2.4033	2.0474	4.3668	3.7681	1.8015	1.8025		1.1032	4.0804	3.5939	3.9883	3.3744
C10	4.4373	2.7371	2.4133	1.4403	3.9991	3.6423	1.1074	1.1064	1.1032		3.3197	2.5454	3.1233	2.4860
H11	3.5165	3.9171	2.7162	2.1074	2.0850	2.5747	3.8571	3.4796	4.0804	3.3197		1.7756	1.8024	1.1073
H12	4.8105	4.3712	3.3457	2.0779	3.5041	3.8036	2.7671	2.4642	3.5939	2.5454	1.7756		1.7843	1.1024
H13	3.9588	4.1233	2.9580	2.1383	2.4559	2.9876	3.1283	3.6210	3.9883	3.1233	1.8024	1.7843		1.1114
C14	3.7591	3.6252	2.4698	1.4379	2.4242	2.7455	2.8319	2.7905	3.3744	2.4860	1.1073	1.1024	1.1114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	115.926	H1	N6	H5	119.472
O2	C3	N4	122.632	O2	C3	N6	121.766
C3	N4	C10	117.847	C3	N4	C14	122.634
C3	N6	H5	124.245	N4	C3	N6	115.602
N4	C10	H7	111.950	N4	C10	H8	111.273
N4	C10	H9	106.465	N4	C14	H11	111.118
N4	C14	H12	109.052	N4	C14	H13	113.401
H7	C10	H8	108.608	H7	C10	H9	109.164
H8	C10	H9	109.325	C10	N4	C14	119.476
H11	C14	H12	106.937	H11	C14	H13	108.661
H12	C14	H13	107.408

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	H	0.352
2	O	-0.429
3	C	0.560
4	N	-0.452
5	H	0.329
6	N	-0.747
7	H	0.172
8	H	0.170
9	H	0.230
10	C	-0.364
11	H	0.184
12	H	0.193
13	H	0.182
14	C	-0.378

	x	y	z	Total
	1.713	4.077	0.296	4.432
CHELPG
AIM
ESP

	x	y	z
x	8.768	-0.079	0.075
y	-0.079	8.106	0.136
z	0.075	0.136	4.662

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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