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	hartrees
Energy at 0K	-302.167865
Energy at 298.15K	-302.178363
HF Energy	-302.167865
Nuclear repulsion energy	256.347624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3938	3570	41.28
2	A	3823	3465	40.71
3	A	3324	3012	2.39
4	A	3258	2953	24.31
5	A	3223	2921	31.54
6	A	3192	2894	53.90
7	A	3150	2855	73.92
8	A	3131	2838	67.55
9	A	1892	1715	574.26
10	A	1777	1611	177.57
11	A	1660	1504	104.82
12	A	1635	1482	7.08
13	A	1626	1474	4.98
14	A	1622	1470	12.82
15	A	1609	1459	47.73
16	A	1567	1420	13.31
17	A	1555	1410	213.62
18	A	1412	1280	51.82
19	A	1379	1250	42.75
20	A	1270	1151	5.25
21	A	1227	1112	1.99
22	A	1198	1086	51.40
23	A	1175	1065	28.13
24	A	1112	1008	34.41
25	A	874	792	55.98
26	A	825	748	2.78
27	A	649	588	12.84
28	A	575	521	150.86
29	A	558	506	7.58
30	A	457	414	58.90
31	A	423	384	34.07
32	A	344	312	14.18
33	A	208	188	4.59
34	A	156	141	1.65
35	A	111	101	6.94
36	A	71	65	0.65

Atom	x (Å)	y (Å)	z (Å)
H1	2.532	0.595	0.173
O2	1.204	-1.310	-0.079
C3	0.750	-0.202	-0.037
N4	-0.580	0.046	-0.027
H5	1.321	1.636	0.599
N6	1.596	0.885	0.013
H7	-2.179	-1.082	-0.753
H8	-2.091	-0.971	0.999
H9	-0.950	-1.984	0.121
C10	-1.501	-1.062	0.093
H11	-1.327	1.779	0.917
H12	-2.105	1.315	-0.580
H13	-0.528	2.048	-0.633
C14	-1.152	1.370	-0.074

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3361	1.9631	3.1658	1.6525	0.9934	5.0856	4.9504	4.3333	4.3610	4.1047	4.7530	3.4814	3.7721
O2	2.3361		1.1980	2.2414	3.0254	2.2322	3.4572	3.4837	2.2659	2.7221	4.1168	4.2542	3.8187	3.5682
C3	1.9631	1.1980		1.3530	2.0270	1.3783	3.1413	3.1208	2.4680	2.4137	3.0258	3.2793	2.6554	2.4679
N4	3.1658	2.2414	1.3530		2.5553	2.3317	2.0876	2.0908	2.0688	1.4464	2.1106	2.0606	2.0921	1.4428
H5	1.6525	3.0254	2.0270	2.5553		0.9911	4.6327	4.3126	4.2998	3.9369	2.6711	3.6375	2.2588	2.5761
N6	0.9934	2.2322	1.3783	2.3317	0.9911		4.3248	4.2440	3.8373	3.6591	3.1876	3.7727	2.5051	2.7908
H7	5.0856	3.4572	3.1413	2.0876	4.6327	4.3248		1.7574	1.7571	1.0840	3.4207	2.4044	3.5407	2.7433
H8	4.9504	3.4837	3.1208	2.0908	4.3126	4.2440	1.7574		1.7602	1.0851	2.8560	2.7789	3.7711	2.7413
H9	4.3333	2.2659	2.4680	2.0688	4.2998	3.8373	1.7571	1.7602		1.0742	3.8651	3.5653	4.1232	3.3653
C10	4.3610	2.7221	2.4137	1.4464	3.9369	3.6591	1.0840	1.0851	1.0742		2.9639	2.5438	3.3386	2.4626
H11	4.1047	4.1168	3.0258	2.1106	2.6711	3.1876	3.4207	2.8560	3.8651	2.9639		1.7501	1.7644	1.0872
H12	4.7530	4.2542	3.2793	2.0606	3.6375	3.7727	2.4044	2.7789	3.5653	2.5438	1.7501		1.7404	1.0810
H13	3.4814	3.8187	2.6554	2.0921	2.2588	2.5051	3.5407	3.7711	4.1232	3.3386	1.7644	1.7404		1.0773
C14	3.7721	3.5682	2.4679	1.4428	2.5761	2.7908	2.7433	2.7413	3.3653	2.4626	1.0872	1.0810	1.0773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.678	H1	N6	H5	112.757
O2	C3	N4	122.841	O2	C3	N6	119.929
C3	N4	C10	119.101	C3	N4	C14	123.910
C3	N6	H5	116.680	N4	C3	N6	117.228
N4	C10	H7	110.360	N4	C10	H8	110.560
N4	C10	H9	109.433	N4	C14	H11	112.313
N4	C14	H12	108.613	N4	C14	H13	111.408
H7	C10	H8	108.234	H7	C10	H9	109.007
H8	C10	H9	109.213	C10	N4	C14	116.942
H11	C14	H12	107.639	H11	C14	H13	109.201
H12	C14	H13	107.477

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

using model chemistry: HF/Def2TZVPP

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	0.198
2	O	-0.545
3	C	0.548
4	N	-0.229
5	H	0.167
6	N	-0.411
7	H	0.060
8	H	0.061
9	H	0.118
10	C	-0.082
11	H	0.074
12	H	0.073
13	H	0.085
14	C	-0.116

	x	y	z	Total
	-1.958	3.700	0.988	4.301
CHELPG
AIM
ESP

	x	y	z
x	8.558	-0.077	-0.029
y	-0.077	8.163	0.098
z	-0.029	0.098	5.878

<r²>	163.447
(<r²>)^1/2	12.785

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

using model chemistry: HF/Def2TZVPP

States and conformations

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