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	hartrees
Energy at 0K	-303.873412
Energy at 298.15K	-303.883764
Nuclear repulsion energy	254.689313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3732	3562	21.21
2	A	3622	3457	16.44
3	A	3196	3050	1.05
4	A	3148	3005	15.06
5	A	3104	2962	25.12
6	A	3085	2944	57.48
7	A	3034	2896	74.49
8	A	3008	2871	73.28
9	A	1810	1727	428.28
10	A	1683	1606	157.38
11	A	1565	1494	98.60
12	A	1533	1463	14.37
13	A	1524	1454	11.51
14	A	1520	1450	17.45
15	A	1498	1430	71.87
16	A	1454	1388	108.88
17	A	1447	1381	33.27
18	A	1334	1274	26.88
19	A	1293	1234	49.89
20	A	1183	1129	2.51
21	A	1142	1090	4.14
22	A	1124	1072	55.92
23	A	1099	1049	9.82
24	A	1050	1002	34.63
25	A	795	759	53.24
26	A	788	752	11.89
27	A	610	583	21.80
28	A	587	561	189.26
29	A	520	496	6.84
30	A	451	431	39.53
31	A	395	377	12.86
32	A	317	303	11.48
33	A	198	189	5.59
34	A	161	154	1.55
35	A	130	124	5.13
36	A	98	93	2.49

Atom	x (Å)	y (Å)	z (Å)
H1	2.533	0.663	0.149
O2	1.230	-1.334	-0.072
C3	0.758	-0.213	-0.016
N4	-0.589	0.041	-0.025
H5	1.275	1.707	0.546
N6	1.570	0.913	0.005
H7	-2.188	-1.091	-0.774
H8	-2.104	-1.002	0.998
H9	-0.930	-1.988	0.098
C10	-1.507	-1.068	0.082
H11	-0.518	2.030	-0.668
H12	-1.281	1.812	0.928
H13	-2.126	1.331	-0.546
C14	-1.145	1.370	-0.069

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3949	1.9865	3.1884	1.6833	1.0059	5.1207	4.9993	4.3612	4.3954	3.4421	4.0591	4.7580	3.7524
O2	2.3949		1.2167	2.2801	3.1038	2.2734	3.4977	3.5162	2.2623	2.7533	3.8372	4.1471	4.3111	3.5987
C3	1.9865	1.2167		1.3711	2.0672	1.3882	3.1664	3.1370	2.4515	2.4226	2.6620	3.0254	3.3143	2.4766
N4	3.1884	2.2801	1.3711		2.5645	2.3282	2.0978	2.1040	2.0605	1.4429	2.0916	2.1268	2.0733	1.4414
H5	1.6833	3.1038	2.0672	2.5645		1.0060	4.6440	4.3538	4.3259	3.9563	2.1896	2.5860	3.5916	2.5198
N6	1.0059	2.2734	1.3882	2.3282	1.0060		4.3293	4.2596	3.8297	3.6593	2.4617	3.1284	3.7598	2.7543
H7	5.1207	3.4977	3.1664	2.0978	4.6440	4.3293		1.7765	1.7744	1.0945	3.5410	3.4855	2.4336	2.7642
H8	4.9993	3.5162	3.1370	2.1040	4.3538	4.2596	1.7765		1.7778	1.0955	3.8052	2.9325	2.7975	2.7713
H9	4.3612	2.2623	2.4515	2.0605	4.3259	3.8297	1.7744	1.7778		1.0861	4.1104	3.9053	3.5860	3.3685
C10	4.3954	2.7533	2.4226	1.4429	3.9563	3.6593	1.0945	1.0955	1.0861		3.3366	3.0100	2.5556	2.4686
H11	3.4421	3.8372	2.6620	2.0916	2.1896	2.4617	3.5410	3.8052	4.1104	3.3366		1.7824	1.7572	1.0902
H12	4.0591	4.1471	3.0254	2.1268	2.5860	3.1284	3.4855	2.9325	3.9053	3.0100	1.7824		1.7658	1.0987
H13	4.7580	4.3111	3.3143	2.0733	3.5916	3.7598	2.4336	2.7975	3.5860	2.5556	1.7572	1.7658		1.0912
C14	3.7524	3.5987	2.4766	1.4414	2.5198	2.7543	2.7642	2.7713	3.3685	2.4686	1.0902	1.0987	1.0912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.141	H1	N6	H5	113.575
O2	C3	N4	123.445	O2	C3	N6	121.422
C3	N4	C10	118.812	C3	N4	C14	123.404
C3	N6	H5	118.537	N4	C3	N6	115.084
N4	C10	H7	110.780	N4	C10	H8	111.225
N4	C10	H9	108.300	N4	C14	H11	110.660
N4	C14	H12	113.019	N4	C14	H13	109.116
H7	C10	H8	108.420	H7	C10	H9	108.916
H8	C10	H9	109.160	C10	N4	C14	117.713
H11	C14	H12	109.038	H11	C14	H13	107.328
H12	C14	H13	107.475

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

using model chemistry: mPW1PW91/6-311G*

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	0.360
2	O	-0.423
3	C	0.613
4	N	-0.380
5	H	0.348
6	N	-0.829
7	H	0.222
8	H	0.218
9	H	0.268
10	C	-0.542
11	H	0.248
12	H	0.223
13	H	0.237
14	C	-0.562

	x	y	z	Total
	-1.719	3.333	1.139	3.919
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>	164.544
(<r²>)^1/2	12.827

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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