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	hartrees
Energy at 0K	-302.299302
Energy at 298.15K	-302.309590
Nuclear repulsion energy	254.754912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3583	3544	38.23
2	A	3462	3424	20.52
3	A	3079	3045	2.84
4	A	3064	3031	2.49
5	A	2997	2964	6.82
6	A	2986	2954	50.90
7	A	2932	2900	75.05
8	A	2907	2875	66.50
9	A	1785	1765	342.36
10	A	1536	1519	330.63
11	A	1489	1473	18.81
12	A	1406	1391	35.43
13	A	1402	1387	32.32
14	A	1397	1381	23.56
15	A	1388	1373	10.29
16	A	1363	1348	9.70
17	A	1336	1322	19.09
18	A	1316	1302	17.41
19	A	1238	1225	29.32
20	A	1113	1101	1.27
21	A	1069	1057	12.28
22	A	1064	1052	15.39
23	A	1030	1019	7.95
24	A	1015	1004	46.54
25	A	786	777	2.82
26	A	758	749	41.93
27	A	595	589	7.58
28	A	568	562	169.47
29	A	500	495	4.32
30	A	431	426	25.51
31	A	374	370	15.99
32	A	317	314	15.02
33	A	202	200	1.75
34	A	181	179	1.36
35	A	149	147	4.99
36	A	107	105	3.52

Atom	x (Å)	y (Å)	z (Å)
H1	2.533	0.669	0.135
O2	1.230	-1.331	-0.075
C3	0.756	-0.201	-0.013
N4	-0.595	0.043	-0.001
H5	1.253	1.709	0.594
N6	1.553	0.932	-0.003
H7	-2.171	-1.107	-0.792
H8	-2.092	-1.056	1.008
H9	-0.840	-1.984	0.074
C10	-1.478	-1.077	0.079
H11	-1.471	1.760	0.918
H12	-2.062	1.338	-0.722
H13	-0.430	2.050	-0.537
C14	-1.157	1.352	-0.074

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3962	1.9845	3.1927	1.7121	1.0241	5.1131	5.0132	4.2917	4.3748	4.2237	4.7216	3.3378	3.7584
O2	2.3962		1.2271	2.2853	3.1129	2.2874	3.4833	3.5051	2.1755	2.7239	4.2232	4.2870	3.7949	3.5910
C3	1.9845	1.2271		1.3722	2.0652	1.3857	3.1614	3.1440	2.3942	2.4008	3.1099	3.2875	2.5976	2.4643
N4	3.1927	2.2853	1.3722		2.5584	2.3246	2.1058	2.1138	2.0429	1.4286	2.1356	2.0854	2.0839	1.4266
H5	1.7121	3.1129	2.0652	2.5584		1.0245	4.6454	4.3600	4.2768	3.9354	2.7443	3.5857	2.0568	2.5264
N6	1.0241	2.2874	1.3857	2.3246	1.0245		4.3189	4.2736	3.7731	3.6373	3.2680	3.7078	2.3385	2.7431
H7	5.1131	3.4833	3.1614	2.1058	4.6454	4.3189		1.8029	1.8140	1.1139	3.4109	2.4487	3.6142	2.7553
H8	5.0132	3.5051	3.1440	2.1138	4.3600	4.2736	1.8029		1.8174	1.1143	2.8846	2.9536	3.8466	2.8008
H9	4.2917	2.1755	2.3942	2.0429	4.2768	3.7731	1.8140	1.8174		1.1084	3.8893	3.6277	4.1003	3.3542
C10	4.3748	2.7239	2.4008	1.4286	3.9354	3.6373	1.1139	1.1143	1.1084		2.9586	2.6107	3.3550	2.4552
H11	4.2237	4.2232	3.1099	2.1356	2.7443	3.2680	3.4109	2.8846	3.8893	2.9586		1.7931	1.8129	1.1181
H12	4.7216	4.2870	3.2875	2.0854	3.5857	3.7078	2.4487	2.9536	3.6277	2.6107	1.7931		1.7894	1.1127
H13	3.3378	3.7949	2.5976	2.0839	2.0568	2.3385	3.6142	3.8466	4.1003	3.3550	1.8129	1.7894		1.1087
C14	3.7584	3.5910	2.4643	1.4266	2.5264	2.7431	2.7553	2.8008	3.3542	2.4552	1.1181	1.1127	1.1087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.965	H1	N6	H5	113.384
O2	C3	N4	122.991	O2	C3	N6	122.075
C3	N4	C10	117.993	C3	N4	C14	123.392
C3	N6	H5	117.136	N4	C3	N6	114.890
N4	C10	H7	111.231	N4	C10	H8	111.864
N4	C10	H9	106.588	N4	C14	H11	113.567
N4	C14	H12	109.809	N4	C14	H13	109.933
H7	C10	H8	108.013	H7	C10	H9	109.424
H8	C10	H9	109.700	C10	N4	C14	118.613
H11	C14	H12	106.988	H11	C14	H13	108.998
H12	C14	H13	107.323

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

using model chemistry: LSDA/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	0.134
2	O	-0.247
3	C	0.093
4	N	-0.171
5	H	0.125
6	N	-0.163
7	H	0.067
8	H	0.065
9	H	0.093
10	C	-0.102
11	H	0.068
12	H	0.074
13	H	0.077
14	C	-0.115

	x	y	z	Total
	-1.342	3.162	1.031	3.586
CHELPG
AIM
ESP

	x	y	z
x	9.523	0.031	-0.005
y	0.031	8.556	0.229
z	-0.005	0.229	5.434

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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