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	hartrees
Energy at 0K	-303.047927
Energy at 298.15K	-303.058351
HF Energy	-302.103910
Nuclear repulsion energy	253.825014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3549	22.80
2	A	3620	3440	20.37
3	A	3226	3065	0.46
4	A	3191	3032	9.80
5	A	3141	2985	13.94
6	A	3132	2977	49.11
7	A	3056	2904	65.97
8	A	3032	2881	61.84
9	A	1810	1720	378.06
10	A	1705	1620	152.05
11	A	1576	1497	76.29
12	A	1551	1474	19.82
13	A	1541	1465	12.84
14	A	1539	1463	10.29
15	A	1512	1436	56.60
16	A	1471	1398	27.28
17	A	1461	1389	145.68
18	A	1333	1267	27.97
19	A	1298	1233	40.94
20	A	1192	1133	4.44
21	A	1152	1095	9.78
22	A	1133	1076	76.69
23	A	1105	1050	9.50
24	A	1049	997	26.26
25	A	813	772	121.73
26	A	787	748	4.39
27	A	649	617	176.46
28	A	603	573	8.33
29	A	521	495	8.95
30	A	463	440	29.88
31	A	398	378	12.44
32	A	323	307	8.47
33	A	200	190	2.81
34	A	186	177	4.09
35	A	133	126	6.28
36	A	77	73	0.68

Atom	x (Å)	y (Å)	z (Å)
H1	2.525	0.675	0.153
O2	1.247	-1.336	-0.080
C3	0.763	-0.214	-0.011
N4	-0.588	0.038	-0.019
H5	1.262	1.689	0.596
N6	1.562	0.932	0.004
H7	-2.180	-1.101	-0.780
H8	-2.116	-0.992	0.995
H9	-0.932	-1.995	0.119
C10	-1.510	-1.075	0.086
H11	-1.348	1.789	0.919
H12	-2.104	1.323	-0.613
H13	-0.492	2.036	-0.629
C14	-1.153	1.369	-0.077

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3941	1.9805	3.1822	1.6798	1.0078	5.1142	5.0029	4.3686	4.3987	4.1023	4.7361	3.4006	3.7500
O2	2.3941		1.2240	2.2930	3.1001	2.2914	3.5051	3.5478	2.2856	2.7742	4.1833	4.3106	3.8336	3.6161
C3	1.9805	1.2240		1.3740	2.0592	1.3973	3.1678	3.1474	2.4625	2.4325	3.0550	3.3078	2.6494	2.4860
N4	3.1822	2.2930	1.3740		2.5551	2.3287	2.0993	2.1033	2.0666	1.4491	2.1276	2.0742	2.0918	1.4472
H5	1.6798	3.1001	2.0592	2.5551		1.0075	4.6389	4.3310	4.3150	3.9479	2.6314	3.5949	2.1669	2.5274
N6	1.0078	2.2914	1.3973	2.3287	1.0075		4.3295	4.2678	3.8478	3.6706	3.1687	3.7377	2.4159	2.7512
H7	5.1142	3.5051	3.1678	2.0993	4.6389	4.3295		1.7791	1.7786	1.0949	3.4539	2.4304	3.5655	2.7650
H8	5.0029	3.5478	3.1474	2.1033	4.3310	4.2678	1.7791		1.7823	1.0956	2.8861	2.8186	3.8006	2.7655
H9	4.3686	2.2856	2.4625	2.0666	4.3150	3.8478	1.7786	1.7823		1.0868	3.8906	3.5944	4.1241	3.3770
C10	4.3987	2.7742	2.4325	1.4491	3.9479	3.6706	1.0949	1.0956	1.0868		2.9877	2.5678	3.3513	2.4753
H11	4.1023	4.1833	3.0550	2.1276	2.6314	3.1687	3.4539	2.8861	3.8906	2.9877		1.7714	1.7862	1.0987
H12	4.7361	4.3106	3.3078	2.0742	3.5949	3.7377	2.4304	2.8186	3.5944	2.5678	1.7714		1.7629	1.0924
H13	3.4006	3.8336	2.6494	2.0918	2.1669	2.4159	3.5655	3.8006	4.1241	3.3513	1.7862	1.7629		1.0899
C14	3.7500	3.6161	2.4860	1.4472	2.5274	2.7512	2.7650	2.7655	3.3770	2.4753	1.0987	1.0924	1.0899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.803	H1	N6	H5	112.927
O2	C3	N4	123.805	O2	C3	N6	121.750
C3	N4	C10	118.972	C3	N4	C14	123.543
C3	N6	H5	116.877	N4	C3	N6	114.341
N4	C10	H7	110.438	N4	C10	H8	110.725
N4	C10	H9	108.315	N4	C14	H11	112.653
N4	C14	H12	108.710	N4	C14	H13	110.278
H7	C10	H8	108.617	H7	C10	H9	109.221
H8	C10	H9	109.506	C10	N4	C14	117.442
H11	C14	H12	107.885	H11	C14	H13	109.398
H12	C14	H13	107.767

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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