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	hartrees
Energy at 0K	-302.037961
Energy at 298.15K	-302.048430
HF Energy	-302.037961
Nuclear repulsion energy	255.953687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3941	3541	38.91
2	A	3828	3440	37.74
3	A	3371	3029	4.50
4	A	3314	2977	29.27
5	A	3263	2932	44.71
6	A	3255	2924	56.21
7	A	3205	2880	37.50
8	A	3196	2871	78.69
9	A	1948	1751	520.64
10	A	1809	1626	168.26
11	A	1676	1506	84.62
12	A	1662	1493	2.13
13	A	1652	1484	3.68
14	A	1645	1478	9.28
15	A	1636	1470	49.38
16	A	1592	1430	7.54
17	A	1567	1408	263.58
18	A	1423	1279	35.44
19	A	1391	1250	33.31
20	A	1275	1146	9.68
21	A	1237	1112	1.99
22	A	1219	1095	46.59
23	A	1181	1061	31.41
24	A	1121	1007	24.98
25	A	877	788	100.66
26	A	835	750	5.58
27	A	654	588	21.82
28	A	615	552	180.54
29	A	558	501	5.79
30	A	449	403	24.02
31	A	431	387	68.65
32	A	345	310	10.21
33	A	238	213	14.26
34	A	148	133	2.32
35	A	106	95	6.56
36	A	44	40	3.70

Atom	x (Å)	y (Å)	z (Å)
H1	-2.544	0.602	-0.076
O2	-1.175	-1.346	0.078
C3	-0.745	-0.226	-0.015
N4	0.585	0.059	-0.139
H5	-1.335	1.695	-0.454
N6	-1.588	0.861	0.024
H7	1.868	-1.176	0.995
H8	2.379	-0.850	-0.661
H9	1.041	-1.951	-0.349
C10	1.522	-1.043	-0.027
H11	0.773	2.092	-0.676
H12	2.178	1.360	0.046
H13	0.810	1.788	1.061
C14	1.099	1.396	0.091

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3857	1.9813	3.1764	1.6735	0.9961	4.8763	5.1663	4.4099	4.3866	3.6858	4.7846	3.7354	3.7327
O2	2.3857		1.2034	2.2626	3.0915	2.2458	3.1830	3.6642	2.3370	2.7162	4.0225	4.3093	3.8382	3.5621
C3	1.9813	1.2034		1.3659	2.0572	1.3758	2.9584	3.2509	2.5058	2.4099	2.8482	3.3265	2.7628	2.4579
N4	3.1764	2.2626	1.3659		2.5421	2.3215	2.1119	2.0782	2.0720	1.4511	2.1103	2.0654	2.1166	1.4501
H5	1.6735	3.0915	2.0572	2.5421		0.9943	4.5397	4.5074	4.3536	3.9804	2.1568	3.5648	2.6284	2.5127
N6	0.9961	2.2458	1.3758	2.3215	0.9943		4.1275	4.3741	3.8676	3.6466	2.7528	3.7989	2.7722	2.7404
H7	4.8763	3.1830	2.9584	2.1119	4.5397	4.1275		1.7638	1.7576	1.0875	3.8301	2.7258	3.1483	2.8325
H8	5.1663	3.6642	3.2509	2.0782	4.5074	4.3741	1.7638		1.7606	1.0836	3.3512	2.3293	3.5193	2.6917
H9	4.4099	2.3370	2.5058	2.0720	4.3536	3.8676	1.7576	1.7606		1.0763	4.0644	3.5230	4.0026	3.3755
C10	4.3866	2.7162	2.4099	1.4511	3.9804	3.6466	1.0875	1.0836	1.0763		3.2873	2.4923	3.1154	2.4776
H11	3.6858	4.0225	2.8482	2.1103	2.1568	2.7528	3.8301	3.3512	4.0644	3.2873		1.7409	1.7633	1.0856
H12	4.7846	4.3093	3.3265	2.0654	3.5648	3.7989	2.7258	2.3293	3.5230	2.4923	1.7409		1.7557	1.0805
H13	3.7354	3.8382	2.7628	2.1166	2.6284	2.7722	3.1483	3.5193	4.0026	3.1154	1.7633	1.7557		1.0856
C14	3.7327	3.5621	2.4579	1.4501	2.5127	2.7404	2.8325	2.6917	3.3755	2.4776	1.0856	1.0805	1.0856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	112.310	H1	N6	H5	114.451
O2	C3	N4	123.322	O2	C3	N6	120.949
C3	N4	C10	117.595	C3	N4	C14	121.557
C3	N6	H5	119.585	N4	C3	N6	115.719
N4	C10	H7	111.789	N4	C10	H8	109.291
N4	C10	H9	109.230	N4	C14	H11	111.852
N4	C14	H12	108.525	N4	C14	H13	112.377
H7	C10	H8	108.665	H7	C10	H9	108.632
H8	C10	H9	109.196	C10	N4	C14	117.298
H11	C14	H12	106.970	H11	C14	H13	108.611
H12	C14	H13	108.304

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

using model chemistry: HF/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	0.391
2	O	-0.641
3	C	0.958
4	N	-0.671
5	H	0.376
6	N	-0.924
7	H	0.162
8	H	0.163
9	H	0.227
10	C	-0.285
11	H	0.162
12	H	0.188
13	H	0.186
14	C	-0.292

	x	y	z	Total
	1.733	3.602	-0.894	4.096
CHELPG	1.777	3.591	-0.894	4.106
AIM
ESP	1.774	3.600	-0.890	4.111

	x	y	z
x	7.329	0.056	-0.036
y	0.056	7.114	-0.184
z	-0.036	-0.184	4.677

<r²>	162.991
(<r²>)^1/2	12.767

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

using model chemistry: HF/6-31G*

States and conformations

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