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	hartrees
Energy at 0K	-303.785968
Energy at 298.15K	-303.796105
Nuclear repulsion energy	251.312921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3557	3537	15.85
2	A	3451	3432	9.34
3	A	3087	3070	1.94
4	A	3045	3028	10.81
5	A	2985	2968	26.52
6	A	2967	2951	48.91
7	A	2928	2912	74.79
8	A	2898	2882	70.98
9	A	1711	1702	299.31
10	A	1581	1572	86.40
11	A	1499	1491	25.74
12	A	1470	1462	11.67
13	A	1461	1453	16.12
14	A	1459	1451	5.59
15	A	1435	1427	39.41
16	A	1393	1386	8.05
17	A	1369	1362	157.71
18	A	1242	1235	55.93
19	A	1230	1223	23.39
20	A	1143	1137	2.67
21	A	1103	1097	3.04
22	A	1068	1062	72.30
23	A	1053	1048	16.16
24	A	989	983	31.20
25	A	748	744	60.93
26	A	735	730	7.07
27	A	600	597	122.10
28	A	569	565	40.11
29	A	495	492	8.61
30	A	426	424	21.67
31	A	379	377	10.94
32	A	309	307	8.76
33	A	186	185	3.58
34	A	150	149	0.98
35	A	134	133	3.54
36	A	96	95	2.09

Atom	x (Å)	y (Å)	z (Å)
H1	2.559	0.663	0.164
O2	1.251	-1.347	-0.075
C3	0.771	-0.213	-0.015
N4	-0.596	0.041	-0.022
H5	1.303	1.707	0.597
N6	1.592	0.937	-0.003
H7	-2.215	-1.106	-0.775
H8	-2.124	-1.025	1.010
H9	-0.929	-2.008	0.094
C10	-1.522	-1.087	0.084
H11	-1.397	1.796	0.932
H12	-2.124	1.347	-0.632
H13	-0.500	2.069	-0.601
C14	-1.175	1.381	-0.072

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4099	1.9994	3.2212	1.6898	1.0180	5.1769	5.0487	4.3936	4.4403	4.1857	4.7985	3.4520	3.8092
O2	2.4099		1.2323	2.3110	3.1271	2.3101	3.5438	3.5591	2.2840	2.7890	4.2306	4.3535	3.8737	3.6502
C3	1.9994	1.2323		1.3905	2.0844	1.4137	3.2076	3.1756	2.4741	2.4549	3.1033	3.3457	2.6769	2.5160
N4	3.2212	2.3110	1.3905		2.6006	2.3650	2.1222	2.1290	2.0793	1.4626	2.1514	2.1001	2.1106	1.4604
H5	1.6898	3.1271	2.0844	2.6006		1.0182	4.7084	4.4010	4.3625	4.0051	2.7215	3.6578	2.1947	2.5867
N6	1.0180	2.3101	1.4137	2.3650	1.0182		4.3894	4.3221	3.8780	3.7146	3.2475	3.7913	2.4531	2.8034
H7	5.1769	3.5438	3.2076	2.1222	4.7084	4.3894		1.7890	1.7955	1.1046	3.4646	2.4592	3.6124	2.7863
H8	5.0487	3.5591	3.1756	2.1290	4.4010	4.3221	1.7890		1.7979	1.1057	2.9134	2.8845	3.8467	2.8035
H9	4.3936	2.2840	2.4741	2.0793	4.3625	3.8780	1.7955	1.7979		1.0956	3.9228	3.6350	4.1577	3.4023
C10	4.4403	2.7890	2.4549	1.4626	4.0051	3.7146	1.1046	1.1057	1.0956		3.0068	2.6075	3.3864	2.4970
H11	4.1857	4.2306	3.1033	2.1514	2.7215	3.2475	3.4646	2.9134	3.9228	3.0068		1.7818	1.7967	1.1089
H12	4.7985	4.3535	3.3457	2.1001	3.6578	3.7913	2.4592	2.8845	3.6350	2.6075	1.7818		1.7768	1.1022
H13	3.4520	3.8737	2.6769	2.1106	2.1947	2.4531	3.6124	3.8467	4.1577	3.3864	1.7967	1.7768		1.0985
C14	3.8092	3.6502	2.5160	1.4604	2.5867	2.8034	2.7863	2.8035	3.4023	2.4970	1.1089	1.1022	1.0985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.538	H1	N6	H5	112.176
O2	C3	N4	123.443	O2	C3	N6	121.486
C3	N4	C10	118.706	C3	N4	C14	123.880
C3	N6	H5	117.056	N4	C3	N6	114.994
N4	C10	H7	110.745	N4	C10	H8	111.226
N4	C10	H9	107.881	N4	C14	H11	113.011
N4	C14	H12	109.279	N4	C14	H13	110.340
H7	C10	H8	108.077	H7	C10	H9	109.379
H8	C10	H9	109.517	C10	N4	C14	117.361
H11	C14	H12	107.382	H11	C14	H13	108.970
H12	C14	H13	107.680

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

using model chemistry: BLYP/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	0.237
2	O	-0.364
3	C	0.379
4	N	-0.019
5	H	0.227
6	N	-0.520
7	H	0.103
8	H	0.100
9	H	0.153
10	C	-0.318
11	H	0.102
12	H	0.116
13	H	0.131
14	C	-0.326

	x	y	z	Total
	-1.587	2.950	1.059	3.513
CHELPG
AIM
ESP

	x	y	z
x	9.623	0.031	-0.013
y	0.031	8.608	0.225
z	-0.013	0.225	5.502

<r²>	168.439
(<r²>)^1/2	12.978

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

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

States and conformations

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