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	hartrees
Energy at 0K	-301.841781
Energy at 298.15K	-301.851891
Nuclear repulsion energy	250.632764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3588	3555	26.47
2	A	3458	3427	16.27
3	A	3076	3048	0.90
4	A	3042	3015	13.20
5	A	2998	2971	7.30
6	A	2994	2967	71.22
7	A	2946	2919	72.51
8	A	2914	2888	71.52
9	A	1688	1672	223.77
10	A	1614	1599	97.41
11	A	1545	1531	25.02
12	A	1526	1512	14.14
13	A	1519	1505	8.77
14	A	1513	1499	23.52
15	A	1456	1442	71.47
16	A	1407	1394	41.82
17	A	1372	1359	168.75
18	A	1249	1237	28.08
19	A	1247	1235	66.74
20	A	1145	1134	2.95
21	A	1105	1095	5.24
22	A	1063	1053	8.23
23	A	1049	1039	37.69
24	A	995	986	54.42
25	A	748	741	34.30
26	A	733	726	12.27
27	A	582	576	4.65
28	A	525	520	91.53
29	A	490	485	17.40
30	A	419	416	83.93
31	A	360	357	51.34
32	A	278	276	65.50
33	A	207	206	3.02
34	A	168	166	2.94
35	A	154	152	5.01
36	A	83	82	10.31

Atom	x (Å)	y (Å)	z (Å)
H1	2.571	0.780	0.032
O2	1.261	-1.355	-0.102
C3	0.774	-0.202	-0.011
N4	-0.602	0.045	0.012
H5	1.234	1.816	0.473
N6	1.565	0.945	0.059
H7	-2.197	-1.133	-0.762
H8	-2.078	-1.121	1.035
H9	-0.839	-2.002	0.053
C10	-1.495	-1.117	0.093
H11	-0.532	2.027	-0.706
H12	-1.365	1.866	0.888
H13	-2.163	1.306	-0.613
C14	-1.189	1.382	-0.097

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.5087	2.0482	3.2574	1.7482	1.0202	5.1986	5.1213	4.4011	4.4872	3.4244	4.1719	4.8065	3.8101
O2	2.5087		1.2559	2.3337	3.2234	2.3254	3.5275	3.5351	2.2033	2.7732	3.8752	4.2728	4.3667	3.6739
C3	2.0482	1.2559		1.3982	2.1253	1.3941	3.2028	3.1732	2.4182	2.4488	2.6745	3.1078	3.3556	2.5235
N4	3.2574	2.3337	1.3982		2.5925	2.3466	2.1285	2.1402	2.0607	1.4676	2.1093	2.1601	2.1018	1.4645
H5	1.7482	3.2234	2.1253	2.5925		1.0201	4.6899	4.4615	4.3647	4.0242	2.1337	2.6321	3.6022	2.5264
N6	1.0202	2.3254	1.3941	2.3466	1.0201		4.3750	4.2991	3.8025	3.6894	2.4802	3.1810	3.8046	2.7925
H7	5.1986	3.5275	3.2028	2.1285	4.6899	4.3750		1.8008	1.8060	1.1067	3.5724	3.5229	2.4444	2.7903
H8	5.1213	3.5351	3.1732	2.1402	4.4615	4.2991	1.8008		1.8093	1.1073	3.9150	3.0742	2.9348	2.8868
H9	4.4011	2.2033	2.4182	2.0607	4.3647	3.8025	1.8060	1.8093		1.1015	4.1110	3.9918	3.6247	3.4052
C10	4.4872	2.7732	2.4488	1.4676	4.0242	3.6894	1.1067	1.1073	1.1015		3.3841	3.0903	2.6114	2.5253
H11	3.4244	3.8752	2.6745	2.1093	2.1337	2.4802	3.5724	3.9150	4.1110	3.3841		1.8058	1.7854	1.1041
H12	4.1719	4.2728	3.1078	2.1601	2.6321	3.1810	3.5229	3.0742	3.9918	3.0903	1.8058		1.7895	1.1111
H13	4.8065	4.3667	3.3556	2.1018	3.6022	3.8046	2.4444	2.9348	3.6247	2.6114	1.7854	1.7895		1.1048
C14	3.8101	3.6739	2.5235	1.4645	2.5264	2.7925	2.7903	2.8868	3.4052	2.5253	1.1041	1.1111	1.1048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	115.194	H1	N6	H5	117.930
O2	C3	N4	123.025	O2	C3	N6	122.605
C3	N4	C10	117.386	C3	N4	C14	123.642
C3	N6	H5	122.610	N4	C3	N6	114.365
N4	C10	H7	110.768	N4	C10	H8	111.681
N4	C10	H9	105.778	N4	C14	H11	109.615
N4	C14	H12	113.294	N4	C14	H13	108.982
H7	C10	H8	108.850	H7	C10	H9	109.736
H8	C10	H9	109.991	C10	N4	C14	118.919
H11	C14	H12	109.214	H11	C14	H13	107.857
H12	C14	H13	107.724

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

using model chemistry: PBEPBE/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	0.318
2	O	-0.499
3	C	0.801
4	N	-0.603
5	H	0.307
6	N	-0.750
7	H	0.200
8	H	0.200
9	H	0.249
10	C	-0.430
11	H	0.218
12	H	0.201
13	H	0.222
14	C	-0.435

	x	y	z	Total
	-1.251	3.489	0.714	3.775
CHELPG
AIM
ESP

	x	y	z
x	8.427	0.067	-0.137
y	0.067	7.608	0.262
z	-0.137	0.262	4.226

<r²>	168.398
(<r²>)^1/2	12.977

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

using model chemistry: PBEPBE/3-21G

States and conformations

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