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	hartrees
Energy at 0K	-303.160787
Energy at 298.15K	-303.171183
HF Energy	-302.103921
Nuclear repulsion energy	254.426778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3541	22.41
2	A	3622	3431	23.31
3	A	3228	3058	4.61
4	A	3218	3048	18.31
5	A	3155	2988	28.52
6	A	3152	2985	30.94
7	A	3058	2896	63.04
8	A	3052	2891	43.51
9	A	1813	1718	322.87
10	A	1703	1613	147.84
11	A	1566	1484	54.45
12	A	1543	1462	17.98
13	A	1537	1456	9.80
14	A	1527	1446	27.25
15	A	1518	1438	21.45
16	A	1481	1403	4.82
17	A	1449	1372	216.27
18	A	1309	1239	37.82
19	A	1293	1225	11.17
20	A	1198	1134	12.26
21	A	1147	1087	4.57
22	A	1138	1078	73.77
23	A	1101	1043	12.56
24	A	1043	988	23.36
25	A	826	782	102.07
26	A	794	752	13.24
27	A	670	635	179.52
28	A	606	574	19.21
29	A	511	484	4.94
30	A	465	441	30.58
31	A	409	388	10.94
32	A	328	310	5.98
33	A	257	244	22.18
34	A	165	157	1.57
35	A	121	114	3.66
36	A	33	31	3.23

Atom	x (Å)	y (Å)	z (Å)
H1	-2.571	0.572	-0.052
O2	-1.148	-1.348	0.195
C3	-0.750	-0.215	-0.021
N4	0.584	0.090	-0.258
H5	-1.414	1.589	-0.725
N6	-1.612	0.880	-0.037
H7	1.710	-1.230	0.968
H8	2.434	-0.795	-0.602
H9	1.059	-1.922	-0.525
C10	1.499	-1.029	-0.091
H11	0.481	2.193	-0.052
H12	2.092	1.523	-0.297
H13	1.294	1.367	1.283
C14	1.133	1.360	0.197

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4029	1.9848	3.1984	1.6812	1.0082	4.7555	5.2182	4.4300	4.3740	3.4563	4.7658	4.1660	3.7952
O2	2.4029		1.2205	2.2965	3.0896	2.2879	2.9629	3.7117	2.3920	2.6819	3.9062	4.3572	3.8105	3.5409
C3	1.9848	1.2205		1.3882	2.0476	1.3939	2.8383	3.2881	2.5376	2.3924	2.7049	3.3425	2.8949	2.4642
N4	3.1984	2.2965	1.3882		2.5411	2.3436	2.1241	2.0801	2.0845	1.4551	2.1158	2.0807	2.1236	1.4565
H5	1.6812	3.0896	2.0476	2.5411		1.0073	4.5355	4.5290	4.2995	3.9677	2.0998	3.5330	3.3787	2.7183
N6	1.0082	2.2879	1.3939	2.3436	1.0073		4.0611	4.4154	3.9017	3.6500	2.4705	3.7681	3.2283	2.7957
H7	4.7555	2.9629	2.8383	2.1241	4.5355	4.0611		1.7825	1.7693	1.0975	3.7773	3.0531	2.6487	2.7630
H8	5.2182	3.7117	3.2881	2.0801	4.5290	4.4154	1.7825		1.7793	1.0912	3.6124	2.3629	3.0870	2.6417
H9	4.4300	2.3920	2.5376	2.0845	4.2995	3.9017	1.7693	1.7793		1.0864	4.1824	3.6033	3.7605	3.3613
C10	4.3740	2.6819	2.3924	1.4551	3.9677	3.6500	1.0975	1.0912	1.0864		3.3792	2.6274	2.7690	2.4336
H11	3.4563	3.9062	2.7049	2.1158	2.0998	2.4705	3.7773	3.6124	4.1824	3.3792		1.7622	1.7685	1.0869
H12	4.7658	4.3572	3.3425	2.0807	3.5330	3.7681	3.0531	2.3629	3.6033	2.6274	1.7622		1.7771	1.0914
H13	4.1660	3.8105	2.8949	2.1236	3.3787	3.2283	2.6487	3.0870	3.7605	2.7690	1.7685	1.7771		1.0980
C14	3.7952	3.5409	2.4642	1.4565	2.7183	2.7957	2.7630	2.6417	3.3613	2.4336	1.0869	1.0914	1.0980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.405	H1	N6	H5	113.047
O2	C3	N4	123.234	O2	C3	N6	121.979
C3	N4	C10	114.558	C3	N4	C14	120.028
C3	N6	H5	116.090	N4	C3	N6	114.786
N4	C10	H7	111.873	N4	C10	H8	108.720
N4	C10	H9	109.355	N4	C14	H11	111.769
N4	C14	H12	108.655	N4	C14	H13	111.702
H7	C10	H8	109.060	H7	C10	H9	108.220
H8	C10	H9	109.589	C10	N4	C14	113.412
H11	C14	H12	108.001	H11	C14	H13	108.077
H12	C14	H13	108.522

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

using model chemistry: MP2=FULL/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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All results from a given calculation for N(CH3)2CONH2 (Urea, N,N-dimethyl-)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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