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	hartrees
Energy at 0K	-303.771496
Energy at 298.15K	-303.781714
Nuclear repulsion energy	254.908650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3721	3564	30.03
2	A	3605	3453	21.82
3	A	3192	3057	0.68
4	A	3142	3009	9.44
5	A	3095	2964	15.90
6	A	3081	2951	44.56
7	A	3026	2898	65.89
8	A	3003	2876	60.08
9	A	1812	1736	372.36
10	A	1606	1538	159.20
11	A	1544	1478	78.38
12	A	1505	1441	15.64
13	A	1493	1429	9.28
14	A	1491	1428	18.00
15	A	1473	1410	83.87
16	A	1430	1369	72.34
17	A	1420	1360	18.08
18	A	1327	1271	27.21
19	A	1277	1223	48.66
20	A	1170	1120	2.98
21	A	1129	1081	3.39
22	A	1095	1048	38.86
23	A	1084	1038	7.18
24	A	1040	996	35.59
25	A	786	753	50.10
26	A	782	749	2.88
27	A	605	579	27.72
28	A	577	553	155.45
29	A	506	484	5.02
30	A	415	397	36.22
31	A	387	370	9.12
32	A	307	294	7.09
33	A	186	179	4.03
34	A	150	143	2.36
35	A	132	127	2.05
36	A	92	88	3.93

Atom	x (Å)	y (Å)	z (Å)
H1	2.526	0.661	0.163
O2	1.229	-1.332	-0.067
C3	0.758	-0.212	-0.016
N4	-0.589	0.041	-0.022
H5	1.261	1.707	0.541
N6	1.566	0.917	-0.003
H7	-2.188	-1.088	-0.774
H8	-2.094	-1.020	0.997
H9	-0.909	-1.984	0.080
C10	-1.500	-1.071	0.077
H11	-1.284	1.811	0.932
H12	-2.128	1.327	-0.542
H13	-0.518	2.029	-0.663
C14	-1.146	1.367	-0.064

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3896	1.9800	3.1814	1.6839	1.0069	5.1148	4.9862	4.3361	4.3834	4.0530	4.7537	3.4378	3.7463
O2	2.3896		1.2166	2.2787	3.0996	2.2753	3.4979	3.5026	2.2393	2.7447	4.1460	4.3085	3.8347	3.5957
C3	1.9800	1.2166		1.3703	2.0603	1.3882	3.1657	3.1322	2.4348	2.4174	3.0262	3.3122	2.6583	2.4741
N4	3.1814	2.2787	1.3703		2.5525	2.3263	2.0972	2.1045	2.0530	1.4411	2.1273	2.0715	2.0897	1.4391
H5	1.6839	3.0996	2.0603	2.5525		1.0065	4.6303	4.3471	4.3064	3.9440	2.5770	3.5782	2.1724	2.5055
N6	1.0069	2.2753	1.3882	2.3263	1.0065		4.3254	4.2597	3.8142	3.6549	3.1298	3.7556	2.4528	2.7503
H7	5.1148	3.4979	3.1657	2.0972	4.6303	4.3254		1.7755	1.7804	1.0953	3.4832	2.4266	3.5379	2.7601
H8	4.9862	3.5026	3.1322	2.1045	4.3471	4.2597	1.7755		1.7823	1.0962	2.9447	2.8065	3.8122	2.7789
H9	4.3361	2.2393	2.4348	2.0530	4.3064	3.8142	1.7804	1.7823		1.0877	3.9076	3.5827	4.0999	3.3631
C10	4.3834	2.7447	2.4174	1.4411	3.9440	3.6549	1.0953	1.0962	1.0877		3.0137	2.5550	3.3350	2.4680
H11	4.0530	4.1460	3.0262	2.1273	2.5770	3.1298	3.4832	2.9447	3.9076	3.0137		1.7665	1.7829	1.0993
H12	4.7537	4.3085	3.3122	2.0715	3.5782	3.7556	2.4266	2.8065	3.5827	2.5550	1.7665		1.7605	1.0925
H13	3.4378	3.8347	2.6583	2.0897	2.1724	2.4528	3.5379	3.8122	4.0999	3.3350	1.7829	1.7605		1.0913
C14	3.7463	3.5957	2.4741	1.4391	2.5055	2.7503	2.7601	2.7789	3.3631	2.4680	1.0993	1.0925	1.0913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.500	H1	N6	H5	113.509
O2	C3	N4	123.379	O2	C3	N6	121.590
C3	N4	C10	118.584	C3	N4	C14	123.420
C3	N6	H5	117.823	N4	C3	N6	114.981
N4	C10	H7	110.814	N4	C10	H8	111.362
N4	C10	H9	107.736	N4	C14	H11	113.181
N4	C14	H12	109.057	N4	C14	H13	110.594
H7	C10	H8	108.223	H7	C10	H9	109.288
H8	C10	H9	109.394	C10	N4	C14	117.938
H11	C14	H12	107.402	H11	C14	H13	108.954
H12	C14	H13	107.447

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

using model chemistry: B1B95/6-31G(2df,p)

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	0.272
2	O	-0.423
3	C	0.497
4	N	-0.153
5	H	0.261
6	N	-0.605
7	H	0.126
8	H	0.124
9	H	0.182
10	C	-0.348
11	H	0.127
12	H	0.144
13	H	0.155
14	C	-0.358

	x	y	z	Total
	-1.619	3.154	1.030	3.692
CHELPG
AIM
ESP

	x	y	z
x	8.975	0.010	-0.023
y	0.010	8.161	0.184
z	-0.023	0.184	5.373

<r²>	163.859
(<r²>)^1/2	12.801

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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