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	hartrees
Energy at 0K	-303.793256
Energy at 298.15K	-303.803569
Nuclear repulsion energy	254.273456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3711	3568	28.80
2	A	3598	3459	21.92
3	A	3177	3055	0.72
4	A	3133	3012	9.60
5	A	3082	2963	18.14
6	A	3067	2949	45.23
7	A	3015	2899	69.63
8	A	2991	2876	61.89
9	A	1800	1730	363.80
10	A	1622	1560	134.87
11	A	1543	1483	79.13
12	A	1504	1446	13.35
13	A	1493	1436	15.85
14	A	1492	1434	13.63
15	A	1474	1417	67.56
16	A	1430	1375	106.28
17	A	1422	1367	9.47
18	A	1318	1267	28.03
19	A	1277	1228	48.31
20	A	1171	1126	2.45
21	A	1130	1087	3.16
22	A	1105	1062	49.97
23	A	1086	1044	6.20
24	A	1037	997	35.47
25	A	786	755	52.17
26	A	779	749	2.66
27	A	606	583	38.50
28	A	582	559	144.33
29	A	512	493	7.03
30	A	442	425	30.82
31	A	390	375	10.89
32	A	317	305	10.34
33	A	194	186	4.50
34	A	154	148	1.22
35	A	139	134	3.49
36	A	102	98	2.90

Atom	x (Å)	y (Å)	z (Å)
H1	2.534	0.659	0.158
O2	1.233	-1.332	-0.072
C3	0.760	-0.210	-0.016
N4	-0.590	0.041	-0.019
H5	1.276	1.706	0.556
N6	1.573	0.920	-0.000
H7	-2.181	-1.103	-0.782
H8	-2.110	-1.011	0.993
H9	-0.911	-1.989	0.102
C10	-1.502	-1.074	0.080
H11	-1.341	1.796	0.929
H12	-2.118	1.329	-0.591
H13	-0.506	2.042	-0.631
C14	-1.156	1.367	-0.069

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3902	1.9830	3.1894	1.6845	1.0085	5.1203	5.0059	4.3464	4.3935	4.1109	4.7591	3.4317	3.7644
O2	2.3902		1.2190	2.2831	3.1032	2.2789	3.4942	3.5233	2.2495	2.7515	4.1730	4.3103	3.8369	3.6049
C3	1.9830	1.2190		1.3734	2.0652	1.3919	3.1675	3.1465	2.4443	2.4238	3.0549	3.3140	2.6558	2.4826
N4	3.1894	2.2831	1.3734		2.5657	2.3344	2.1029	2.1081	2.0597	1.4445	2.1311	2.0783	2.0936	1.4425
H5	1.6845	3.1032	2.0652	2.5657		1.0079	4.6506	4.3640	4.3185	3.9591	2.6444	3.6020	2.1670	2.5337
N6	1.0085	2.2789	1.3919	2.3344	1.0079		4.3348	4.2758	3.8271	3.6659	3.1811	3.7599	2.4450	2.7663
H7	5.1203	3.4942	3.1675	2.1029	4.6506	4.3348		1.7787	1.7827	1.0976	3.4697	2.4398	3.5658	2.7675
H8	5.0059	3.5233	3.1465	2.1081	4.3640	4.2758	1.7787		1.7855	1.0984	2.9122	2.8257	3.8123	2.7739
H9	4.3464	2.2495	2.4443	2.0597	4.3185	3.8271	1.7827	1.7855		1.0896	3.8989	3.5979	4.1173	3.3698
C10	4.3935	2.7515	2.4238	1.4445	3.9591	3.6659	1.0976	1.0984	1.0896		2.9977	2.5696	3.3477	2.4701
H11	4.1109	4.1730	3.0549	2.1311	2.6444	3.1811	3.4697	2.9122	3.8989	2.9977		1.7699	1.7861	1.1015
H12	4.7591	4.3103	3.3140	2.0783	3.6020	3.7599	2.4398	2.8257	3.5979	2.5696	1.7699		1.7629	1.0950
H13	3.4317	3.8369	2.6558	2.0936	2.1670	2.4450	3.5658	3.8123	4.1173	3.3477	1.7861	1.7629		1.0928
C14	3.7644	3.6049	2.4826	1.4425	2.5337	2.7663	2.7675	2.7739	3.3698	2.4701	1.1015	1.0950	1.0928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.390	H1	N6	H5	113.311
O2	C3	N4	123.340	O2	C3	N6	121.443
C3	N4	C10	118.644	C3	N4	C14	123.666
C3	N6	H5	117.878	N4	C3	N6	115.165
N4	C10	H7	110.893	N4	C10	H8	111.266
N4	C10	H9	107.916	N4	C14	H11	113.121
N4	C14	H12	109.211	N4	C14	H13	110.582
H7	C10	H8	108.183	H7	C10	H9	109.177
H8	C10	H9	109.379	C10	N4	C14	117.653
H11	C14	H12	107.374	H11	C14	H13	108.970
H12	C14	H13	107.374

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

using model chemistry: B3PW91/6-31G(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	0.280
2	O	-0.428
3	C	0.501
4	N	-0.146
5	H	0.271
6	N	-0.623
7	H	0.139
8	H	0.136
9	H	0.194
10	C	-0.389
11	H	0.138
12	H	0.156
13	H	0.168
14	C	-0.398

	x	y	z	Total
	-1.622	3.153	1.049	3.698
CHELPG
AIM
ESP

	x	y	z
x	9.057	0.006	-0.046
y	0.006	8.192	0.195
z	-0.046	0.195	5.407

<r²>	164.664
(<r²>)^1/2	12.832

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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