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	hartrees
Energy at 0K	-303.672811
Energy at 298.15K	-303.683109
HF Energy	-303.672811
Nuclear repulsion energy	255.022778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3578	32.75
2	A	3610	3469	23.73
3	A	3173	3049	0.89
4	A	3129	3008	10.89
5	A	3087	2967	17.90
6	A	3070	2950	45.11
7	A	3020	2902	69.10
8	A	2995	2879	64.09
9	A	1785	1716	426.72
10	A	1627	1564	161.10
11	A	1546	1485	105.85
12	A	1505	1446	12.61
13	A	1496	1438	12.64
14	A	1494	1435	17.11
15	A	1477	1419	60.78
16	A	1436	1381	98.48
17	A	1426	1371	11.81
18	A	1324	1272	25.29
19	A	1282	1232	47.76
20	A	1171	1125	2.57
21	A	1129	1085	3.04
22	A	1105	1062	45.37
23	A	1087	1045	8.73
24	A	1040	1000	35.93
25	A	786	755	23.07
26	A	785	754	16.52
27	A	606	583	11.16
28	A	556	535	169.09
29	A	517	497	4.58
30	A	439	422	39.14
31	A	392	377	13.70
32	A	318	306	11.84
33	A	190	183	3.45
34	A	149	143	2.07
35	A	132	127	3.19
36	A	98	94	3.13

Atom	x (Å)	y (Å)	z (Å)
H1	-2.572	0.402	0.034
O2	-1.026	-1.342	0.391
C3	-0.721	-0.233	-0.019
N4	0.576	0.152	-0.369
H5	-1.670	1.178	-1.114
N6	-1.661	0.783	-0.179
H7	1.645	-1.238	0.833
H8	2.513	-0.563	-0.571
H9	1.253	-1.792	-0.801
C10	1.551	-0.929	-0.211
H11	0.336	2.182	0.199
H12	2.010	1.658	-0.024
H13	1.118	1.170	1.429
C14	1.032	1.362	0.352

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3579	1.9576	3.1833	1.6542	1.0108	4.5944	5.2110	4.4881	4.3399	3.4142	4.7520	4.0192	3.7432
O2	2.3579		1.2219	2.3188	3.0052	2.2899	2.7092	3.7492	2.6112	2.6787	3.7837	4.2890	3.4622	3.3982
C3	1.9576	1.2219		1.3969	2.0220	1.3926	2.7080	3.2971	2.6344	2.3844	2.6452	3.3219	2.7289	2.3982
N4	3.1833	2.3188	1.3969		2.5786	2.3311	2.1257	2.0749	2.1038	1.4652	2.1213	2.1082	2.1356	1.4797
H5	1.6542	3.0052	2.0220	2.5786		1.0153	4.5400	4.5627	4.1785	3.9535	2.5997	3.8681	3.7737	3.0794
N6	1.0108	2.2899	1.3926	2.3311	1.0153		4.0040	4.4025	3.9377	3.6399	2.4677	3.7771	3.2339	2.8048
H7	4.5944	2.7092	2.7080	2.1257	4.5400	4.0040		1.7833	1.7694	1.0927	3.7161	3.0421	2.5356	2.7135
H8	5.2110	3.7492	3.2971	2.0749	4.5627	4.4025	1.7833		1.7747	1.0902	3.5871	2.3422	2.9914	2.5980
H9	4.4881	2.6112	2.6344	2.1038	4.1785	3.9377	1.7694	1.7747		1.0865	4.1994	3.6167	3.7099	3.3650
C10	4.3399	2.6787	2.3844	1.4652	3.9535	3.6399	1.0927	1.0902	1.0865		3.3656	2.6348	2.6991	2.4158
H11	3.4142	3.7837	2.6452	2.1213	2.5997	2.4677	3.7161	3.5871	4.1994	3.3656		1.7682	1.7744	1.0866
H12	4.7520	4.2890	3.3219	2.1082	3.8681	3.7771	3.0421	2.3422	3.6167	2.6348	1.7682		1.7735	1.0894
H13	4.0192	3.4622	2.7289	2.1356	3.7737	3.2339	2.5356	2.9914	3.7099	2.6991	1.7744	1.7735		1.0971
C14	3.7432	3.3982	2.3982	1.4797	3.0794	2.8048	2.7135	2.5980	3.3650	2.4158	1.0866	1.0894	1.0971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	108.031	H1	N6	H5	109.462
O2	C3	N4	124.473	O2	C3	N6	122.155
C3	N4	C10	112.811	C3	N4	C14	112.930
C3	N6	H5	113.294	N4	C3	N6	113.373
N4	C10	H7	111.582	N4	C10	H8	107.676
N4	C10	H9	110.188	N4	C14	H11	110.567
N4	C14	H12	109.347	N4	C14	H13	111.071
H7	C10	H8	109.558	H7	C10	H9	108.573
H8	C10	H9	109.237	C10	N4	C14	110.233
H11	C14	H12	108.698	H11	C14	H13	108.694
H12	C14	H13	108.405

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

using model chemistry: HSEh1PBE/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
1	H	0.156
2	O	-0.388
3	C	0.251
4	N	-0.060
5	H	0.145
6	N	-0.264
7	H	0.087
8	H	0.084
9	H	0.129
10	C	-0.211
11	H	0.087
12	H	0.097
13	H	0.098
14	C	-0.210

	x	y	z	Total
	1.770	3.386	-0.982	3.945
CHELPG
AIM
ESP

	x	y	z
x	9.594	0.014	-0.029
y	0.014	8.885	-0.144
z	-0.029	-0.144	6.040

<r²>	164.287
(<r²>)^1/2	12.817

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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