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	hartrees
Energy at 0K	-303.786769
Energy at 298.15K	-303.797072
Nuclear repulsion energy	253.589599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3672	3543	27.50
2	A	3559	3435	18.92
3	A	3183	3072	0.64
4	A	3144	3034	7.74
5	A	3084	2976	16.19
6	A	3072	2965	54.42
7	A	3014	2908	74.87
8	A	2989	2884	68.83
9	A	1799	1736	393.12
10	A	1605	1548	153.09
11	A	1533	1479	115.04
12	A	1479	1427	13.87
13	A	1469	1417	17.86
14	A	1468	1417	19.12
15	A	1456	1405	63.43
16	A	1421	1371	69.45
17	A	1400	1351	10.05
18	A	1325	1279	24.93
19	A	1272	1227	44.07
20	A	1155	1115	1.91
21	A	1114	1075	6.09
22	A	1105	1066	54.60
23	A	1074	1037	4.42
24	A	1033	997	37.32
25	A	788	760	64.39
26	A	782	755	4.49
27	A	611	590	112.52
28	A	596	575	57.52
29	A	514	496	7.25
30	A	423	409	25.09
31	A	386	373	15.66
32	A	317	305	9.56
33	A	195	188	4.39
34	A	153	148	0.80
35	A	141	136	4.71
36	A	97	93	2.65

Atom	x (Å)	y (Å)	z (Å)
H1	2.539	0.655	0.158
O2	1.236	-1.335	-0.074
C3	0.762	-0.209	-0.016
N4	-0.593	0.042	-0.017
H5	1.285	1.687	0.603
N6	1.575	0.926	-0.004
H7	-2.183	-1.112	-0.787
H8	-2.119	-1.012	0.998
H9	-0.908	-1.996	0.109
C10	-1.504	-1.076	0.083
H11	-0.482	2.053	-0.602
H12	-1.384	1.788	0.928
H13	-2.105	1.340	-0.636
C14	-1.159	1.369	-0.072

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3899	1.9840	3.1964	1.6844	1.0153	5.1296	5.0188	4.3486	4.3988	3.4152	4.1563	4.7613	3.7737
O2	2.3899		1.2239	2.2900	3.0975	2.2875	3.4995	3.5376	2.2509	2.7566	3.8355	4.1987	4.3164	3.6119
C3	1.9840	1.2239		1.3773	2.0616	1.3959	3.1748	3.1583	2.4489	2.4279	2.6466	3.0798	3.3162	2.4857
N4	3.1964	2.2900	1.3773		2.5722	2.3409	2.1101	2.1145	2.0656	1.4457	2.0976	2.1378	2.0866	1.4435
H5	1.6844	3.0975	2.0616	2.5722		1.0152	4.6680	4.3624	4.3144	3.9601	2.1697	2.6910	3.6259	2.5553
N6	1.0153	2.2875	1.3959	2.3409	1.0152		4.3456	4.2902	3.8357	3.6733	2.4204	3.2199	3.7563	2.7700
H7	5.1296	3.4995	3.1748	2.1101	4.6680	4.3456		1.7895	1.7920	1.1043	3.5976	3.4629	2.4570	2.7769
H8	5.0188	3.5376	3.1583	2.1145	4.3624	4.2902	1.7895		1.7960	1.1050	3.8256	2.8960	2.8638	2.7812
H9	4.3486	2.2509	2.4489	2.0656	4.3144	3.8357	1.7920	1.7960		1.0961	4.1328	3.9009	3.6211	3.3785
C10	4.3988	2.7566	2.4279	1.4457	3.9601	3.6733	1.1043	1.1050	1.0961		3.3623	2.9892	2.5911	2.4738
H11	3.4152	3.8355	2.6466	2.0976	2.1697	2.4204	3.5976	3.8256	4.1328	3.3623		1.7960	1.7730	1.0987
H12	4.1563	4.1987	3.0798	2.1378	2.6910	3.2199	3.4629	2.8960	3.9009	2.9892	1.7960		1.7803	1.1083
H13	4.7613	4.3164	3.3162	2.0866	3.6259	3.7563	2.4570	2.8638	3.6211	2.5911	1.7730	1.7803		1.1017
C14	3.7737	3.6119	2.4857	1.4435	2.5553	2.7700	2.7769	2.7812	3.3785	2.4738	1.0987	1.1083	1.1017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.728	H1	N6	H5	112.106
O2	C3	N4	123.269	O2	C3	N6	121.524
C3	N4	C10	118.625	C3	N4	C14	123.556
C3	N6	H5	116.641	N4	C3	N6	115.150
N4	C10	H7	110.975	N4	C10	H8	111.296
N4	C10	H9	107.929	N4	C14	H11	110.461
N4	C14	H12	113.156	N4	C14	H13	109.398
H7	C10	H8	108.191	H7	C10	H9	109.053
H8	C10	H9	109.365	C10	N4	C14	117.793
H11	C14	H12	108.928	H11	C14	H13	107.365
H12	C14	H13	107.326

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

using model chemistry: B3PW91/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	0.116
2	O	-0.319
3	C	0.259
4	N	-0.320
5	H	0.107
6	N	-0.179
7	H	0.045
8	H	0.040
9	H	0.076
10	C	0.016
11	H	0.060
12	H	0.044
13	H	0.052
14	C	0.005

	x	y	z	Total
	-1.586	3.140	1.110	3.689
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>	165.448
(<r²>)^1/2	12.863

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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