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	hartrees
Energy at 0K	-303.788235
Energy at 298.15K	-303.798473
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3571	35.72
2	A	3608	3456	22.10
3	A	3201	3066	0.76
4	A	3160	3027	11.06
5	A	3116	2985	17.52
6	A	3099	2968	43.20
7	A	3038	2910	73.06
8	A	3012	2885	66.01
9	A	1776	1701	473.20
10	A	1600	1533	221.64
11	A	1537	1472	109.48
12	A	1495	1432	14.36
13	A	1483	1421	1.76
14	A	1476	1414	16.24
15	A	1462	1401	49.58
16	A	1433	1372	75.68
17	A	1411	1351	9.81
18	A	1332	1276	17.52
19	A	1275	1222	50.91
20	A	1157	1109	3.14
21	A	1118	1071	2.95
22	A	1091	1045	19.50
23	A	1085	1039	27.12
24	A	1041	997	31.67
25	A	788	754	2.19
26	A	775	743	33.67
27	A	602	577	9.59
28	A	547	524	159.49
29	A	507	486	3.36
30	A	404	387	4.57
31	A	376	360	53.90
32	A	320	306	10.44
33	A	187	179	3.35
34	A	167	160	0.88
35	A	124	119	6.84
36	A	99	95	0.97

Atom	x (Å)	y (Å)	z (Å)
H1	2.531	0.662	0.167
O2	1.226	-1.342	-0.050
C3	0.754	-0.214	-0.017
N4	-0.590	0.040	-0.044
H5	1.256	1.731	0.481
N6	1.569	0.908	-0.009
H7	-2.220	-1.059	-0.768
H8	-2.081	-1.011	1.009
H9	-0.937	-1.991	0.050
C10	-1.511	-1.065	0.070
H11	-1.173	1.827	0.956
H12	-2.155	1.339	-0.435
H13	-0.553	2.026	-0.712
C14	-1.132	1.376	-0.049

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4016	1.9894	3.1891	1.6927	1.0079	5.1392	4.9773	4.3678	4.3969	3.9619	4.7724	3.4845	3.7382
O2	2.4016		1.2241	2.2826	3.1189	2.2765	3.5321	3.4881	2.2605	2.7546	4.1009	4.3324	3.8667	3.5990
C3	1.9894	1.2241		1.3680	2.0688	1.3863	3.1822	3.1183	2.4541	2.4218	2.9708	3.3237	2.6847	2.4670
N4	3.1891	2.2826	1.3680		2.5574	2.3273	2.0955	2.1058	2.0626	1.4432	2.1292	2.0710	2.0958	1.4417
H5	1.6927	3.1189	2.0688	2.5574		1.0079	4.6289	4.3508	4.3411	3.9550	2.4767	3.5534	2.1866	2.4718
N6	1.0079	2.2765	1.3863	2.3273	1.0079		4.3365	4.2474	3.8323	3.6590	3.0492	3.7732	2.4997	2.7422
H7	5.1392	3.5321	3.1822	2.0955	4.6289	4.3365		1.7825	1.7845	1.0974	3.5215	2.4216	3.5075	2.7623
H8	4.9773	3.4881	3.1183	2.1058	4.3508	4.2474	1.7825		1.7854	1.0990	2.9808	2.7590	3.8104	2.7777
H9	4.3678	2.2605	2.4541	2.0626	4.3411	3.8323	1.7845	1.7854		1.0903	3.9316	3.5785	4.1067	3.3740
C10	4.3969	2.7546	2.4218	1.4432	3.9550	3.6590	1.0974	1.0990	1.0903		3.0437	2.5387	3.3292	2.4727
H11	3.9619	4.1009	2.9708	2.1292	2.4767	3.0492	3.5215	2.9808	3.9316	3.0437		1.7715	1.7902	1.1022
H12	4.7724	4.3324	3.3237	2.0710	3.5534	3.7732	2.4216	2.7590	3.5785	2.5387	1.7715		1.7651	1.0938
H13	3.4845	3.8667	2.6847	2.0958	2.1866	2.4997	3.5075	3.8104	4.1067	3.3292	1.7902	1.7651		1.0946
C14	3.7382	3.5990	2.4670	1.4417	2.4718	2.7422	2.7623	2.7777	3.3740	2.4727	1.1022	1.0938	1.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.409	H1	N6	H5	114.220
O2	C3	N4	123.335	O2	C3	N6	121.274
C3	N4	C10	118.941	C3	N4	C14	122.785
C3	N6	H5	118.703	N4	C3	N6	115.331
N4	C10	H7	110.405	N4	C10	H8	111.135
N4	C10	H9	108.197	N4	C14	H11	112.966
N4	C14	H12	108.751	N4	C14	H13	110.703
H7	C10	H8	108.495	H7	C10	H9	109.311
H8	C10	H9	109.275	C10	N4	C14	117.990
H11	C14	H12	107.546	H11	C14	H13	109.157
H12	C14	H13	107.524

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

using model chemistry: B1B95/aug-cc-pVDZ

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	-0.072
2	O	-0.567
3	C	0.465
4	N	-0.188
5	H	-0.087
6	N	0.023
7	H	-0.205
8	H	-0.131
9	H	-0.350
10	C	0.889
11	H	-0.167
12	H	-0.356
13	H	-0.233
14	C	0.979

	x	y	z	Total
	-1.968	3.455	0.988	4.097
CHELPG
AIM
ESP

	x	y	z
x	10.393	-0.032	-0.055
y	-0.032	9.689	0.087
z	-0.055	0.087	6.791

<r²>	164.854
(<r²>)^1/2	12.840

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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