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	hartrees
Energy at 0K	-300.636402
Energy at 298.15K	-300.646738
Nuclear repulsion energy	253.812143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3610	3545	43.74
2	A	3480	3417	27.71
3	A	3049	2994	1.57
4	A	3038	2983	7.94
5	A	3003	2949	27.92
6	A	2990	2936	32.08
7	A	2943	2890	67.98
8	A	2911	2859	62.41
9	A	1743	1711	236.32
10	A	1597	1569	151.18
11	A	1539	1511	78.37
12	A	1509	1482	18.23
13	A	1503	1476	15.34
14	A	1493	1466	27.19
15	A	1459	1433	128.88
16	A	1396	1371	99.93
17	A	1391	1366	44.01
18	A	1301	1278	5.41
19	A	1269	1246	48.27
20	A	1148	1127	4.23
21	A	1102	1082	5.60
22	A	1069	1049	1.00
23	A	1056	1037	16.48
24	A	1022	1004	65.07
25	A	783	769	43.38
26	A	765	751	18.08
27	A	604	593	5.52
28	A	546	536	120.42
29	A	501	492	23.72
30	A	457	449	93.01
31	A	377	370	32.64
32	A	305	299	37.71
33	A	238	233	1.98
34	A	173	170	5.67
35	A	166	163	4.06
36	A	90	88	9.53

Atom	x (Å)	y (Å)	z (Å)
H1	2.547	0.780	0.006
O2	1.233	-1.346	-0.085
C3	0.761	-0.197	-0.009
N4	-0.598	0.047	0.010
H5	1.189	1.833	0.376
N6	1.539	0.930	0.056
H7	-2.168	-1.130	-0.777
H8	-2.044	-1.142	1.021
H9	-0.778	-1.972	0.024
C10	-1.464	-1.106	0.078
H11	-1.306	1.863	0.907
H12	-2.157	1.303	-0.563
H13	-0.526	2.008	-0.716
C14	-1.165	1.367	-0.079

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.5007	2.0359	3.2296	1.7576	1.0197	5.1467	5.0790	4.3165	4.4326	4.1019	4.7669	3.3872	3.7588
O2	2.5007		1.2451	2.3030	3.2122	2.3010	3.4775	3.4644	2.1095	2.7125	4.2100	4.3289	3.8395	3.6207
C3	2.0359	1.2451		1.3807	2.1095	1.3714	3.1681	3.1331	2.3499	2.4046	3.0573	3.3269	2.6487	2.4812
N4	3.2296	2.3030	1.3807		2.5531	2.3137	2.1134	2.1269	2.0274	1.4432	2.1451	2.0820	2.0922	1.4390
H5	1.7576	3.2122	2.1095	2.5531		1.0199	4.6233	4.4400	4.2981	3.9703	2.5506	3.5153	2.0411	2.4423
N6	1.0197	2.3010	1.3714	2.3137	1.0199		4.3223	4.2502	3.7146	3.6287	3.1127	3.7664	2.4544	2.7427
H7	5.1467	3.4775	3.1681	2.1134	4.6233	4.3223		1.8016	1.8115	1.1073	3.5401	2.4424	3.5417	2.7796
H8	5.0790	3.4644	3.1331	2.1269	4.4400	4.2502	1.8016		1.8127	1.1076	3.0959	2.9149	3.9037	2.8764
H9	4.3165	2.1095	2.3499	2.0274	4.2981	3.7146	1.8115	1.8127		1.1061	3.9707	3.6019	4.0562	3.3631
C10	4.4326	2.7125	2.4046	1.4432	3.9703	3.6287	1.1073	1.1076	1.1061		3.0864	2.5874	3.3474	2.4958
H11	4.1019	4.2100	3.0573	2.1451	2.5506	3.1127	3.5401	3.0959	3.9707	3.0864		1.7878	1.8061	1.1121
H12	4.7669	4.3289	3.3269	2.0820	3.5153	3.7664	2.4424	2.9149	3.6019	2.5874	1.7878		1.7831	1.1056
H13	3.3872	3.8395	2.6487	2.0922	2.0411	2.4544	3.5417	3.9037	4.0562	3.3474	1.8061	1.7831		1.1068
C14	3.7588	3.6207	2.4812	1.4390	2.4423	2.7427	2.7796	2.8764	3.3631	2.4958	1.1121	1.1056	1.1068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	115.960	H1	N6	H5	119.033
O2	C3	N4	122.498	O2	C3	N6	123.074
C3	N4	C10	116.737	C3	N4	C14	123.255
C3	N6	H5	123.131	N4	C3	N6	114.427
N4	C10	H7	111.230	N4	C10	H8	112.320
N4	C10	H9	104.582	N4	C14	H11	113.847
N4	C14	H12	109.111	N4	C14	H13	109.849
H7	C10	H8	108.855	H7	C10	H9	109.846
H8	C10	H9	109.940	C10	N4	C14	119.976
H11	C14	H12	107.441	H11	C14	H13	108.969
H12	C14	H13	107.407

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

using model chemistry: LSDA/3-21G*

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	0.330
2	O	-0.476
3	C	0.765
4	N	-0.576
5	H	0.316
6	N	-0.758
7	H	0.209
8	H	0.211
9	H	0.258
10	C	-0.472
11	H	0.214
12	H	0.236
13	H	0.222
14	C	-0.478

	x	y	z	Total
	-1.123	3.718	0.495	3.915
CHELPG
AIM
ESP

	x	y	z
x	8.293	0.111	-0.131
y	0.111	7.506	0.224
z	-0.131	0.224	4.223

<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/3-21G*

States and conformations

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