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	hartrees
Energy at 0K	-303.823852
Energy at 298.15K	-303.834195
Nuclear repulsion energy	254.136102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3699	3544	29.08
2	A	3585	3436	21.02
3	A	3202	3069	0.59
4	A	3163	3031	7.71
5	A	3105	2976	15.29
6	A	3093	2964	52.98
7	A	3033	2906	72.90
8	A	3009	2884	66.46
9	A	1816	1741	405.91
10	A	1615	1548	169.19
11	A	1545	1481	122.34
12	A	1487	1425	14.61
13	A	1478	1416	20.64
14	A	1476	1415	18.78
15	A	1465	1404	60.35
16	A	1431	1372	58.98
17	A	1409	1350	9.88
18	A	1340	1284	24.41
19	A	1282	1229	43.99
20	A	1162	1114	1.97
21	A	1121	1074	7.90
22	A	1114	1067	49.67
23	A	1082	1037	4.58
24	A	1043	1000	37.84
25	A	796	763	63.76
26	A	790	757	5.74
27	A	614	588	99.60
28	A	600	575	71.93
29	A	518	496	7.14
30	A	427	409	26.17
31	A	389	373	15.71
32	A	319	306	9.75
33	A	195	187	4.34
34	A	155	149	0.86
35	A	142	136	4.97
36	A	98	94	2.59

Atom	x (Å)	y (Å)	z (Å)
H1	2.534	0.653	0.160
O2	1.233	-1.333	-0.072
C3	0.760	-0.208	-0.017
N4	-0.591	0.042	-0.019
H5	1.279	1.686	0.595
N6	1.571	0.923	-0.004
H7	-2.182	-1.106	-0.785
H8	-2.112	-1.012	0.998
H9	-0.906	-1.992	0.104
C10	-1.501	-1.074	0.082
H11	-0.482	2.049	-0.604
H12	-1.373	1.786	0.930
H13	-2.103	1.338	-0.627
C14	-1.155	1.367	-0.070

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3854	1.9802	3.1896	1.6828	1.0135	5.1213	5.0055	4.3396	4.3896	3.4099	4.1398	4.7529	3.7643
O2	2.3854		1.2212	2.2848	3.0921	2.2822	3.4957	3.5264	2.2449	2.7503	3.8289	4.1856	4.3091	3.6039
C3	1.9802	1.2212		1.3741	2.0573	1.3924	3.1701	3.1497	2.4436	2.4227	2.6424	3.0693	3.3104	2.4797
N4	3.1896	2.2848	1.3741		2.5648	2.3354	2.1057	2.1107	2.0618	1.4429	2.0940	2.1338	2.0822	1.4407
H5	1.6828	3.0921	2.0573	2.5648		1.0133	4.6559	4.3515	4.3063	3.9507	2.1605	2.6744	3.6125	2.5430
N6	1.0135	2.2822	1.3924	2.3354	1.0133		4.3374	4.2793	3.8271	3.6652	2.4169	3.2069	3.7495	2.7626
H7	5.1213	3.4957	3.1701	2.1057	4.6559	4.3374		1.7870	1.7897	1.1025	3.5890	3.4583	2.4507	2.7714
H8	5.0055	3.5264	3.1497	2.1107	4.3515	4.2793	1.7870		1.7934	1.1033	3.8201	2.8941	2.8575	2.7773
H9	4.3396	2.2449	2.4436	2.0618	4.3063	3.8271	1.7897	1.7934		1.0945	4.1249	3.8955	3.6138	3.3727
C10	4.3896	2.7503	2.4227	1.4429	3.9507	3.6652	1.1025	1.1033	1.0945		3.3561	2.9857	2.5853	2.4697
H11	3.4099	3.8289	2.6424	2.0940	2.1605	2.4169	3.5890	3.8201	4.1249	3.3561		1.7936	1.7704	1.0972
H12	4.1398	4.1856	3.0693	2.1338	2.6744	3.2069	3.4583	2.8941	3.8955	2.9857	1.7936		1.7778	1.1066
H13	4.7529	4.3091	3.3104	2.0822	3.6125	3.7495	2.4507	2.8575	3.6138	2.5853	1.7704	1.7778		1.1000
C14	3.7643	3.6039	2.4797	1.4407	2.5430	2.7626	2.7714	2.7773	3.3727	2.4697	1.0972	1.1066	1.1000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.778	H1	N6	H5	112.259
O2	C3	N4	123.260	O2	C3	N6	121.525
C3	N4	C10	118.619	C3	N4	C14	123.500
C3	N6	H5	116.674	N4	C3	N6	115.161
N4	C10	H7	110.933	N4	C10	H8	111.291
N4	C10	H9	107.906	N4	C14	H11	110.465
N4	C14	H12	113.139	N4	C14	H13	109.348
H7	C10	H8	108.214	H7	C10	H9	109.095
H8	C10	H9	109.372	C10	N4	C14	117.846
H11	C14	H12	108.955	H11	C14	H13	107.370
H12	C14	H13	107.359

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

using model chemistry: mPW1PW91/cc-pVDZ

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	0.115
2	O	-0.326
3	C	0.279
4	N	-0.338
5	H	0.106
6	N	-0.183
7	H	0.045
8	H	0.040
9	H	0.076
10	C	0.022
11	H	0.060
12	H	0.044
13	H	0.052
14	C	0.010

	x	y	z	Total
	-1.594	3.162	1.109	3.711
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	164.816
(<r²>)^1/2	12.838

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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