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	hartrees
Energy at 0K	-57.110147
Energy at 298.15K	-57.120504
HF Energy	-56.203552
Nuclear repulsion energy	141.244112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3511	20.25
2	A	3564	3396	20.74
3	A	3226	3074	5.08
4	A	3199	3048	25.94
5	A	3154	3005	32.52
6	A	3149	3001	34.31
7	A	3049	2905	73.38
8	A	3045	2902	39.62
9	A	1759	1676	336.34
10	A	1677	1598	166.66
11	A	1554	1481	37.86
12	A	1536	1463	16.93
13	A	1531	1458	14.30
14	A	1525	1453	12.23
15	A	1511	1440	22.33
16	A	1475	1405	4.62
17	A	1434	1367	224.83
18	A	1292	1231	34.67
19	A	1279	1219	15.50
20	A	1185	1129	15.60
21	A	1138	1084	6.89
22	A	1122	1069	88.45
23	A	1092	1040	14.12
24	A	1027	978	15.36
25	A	801	763	133.91
26	A	777	741	6.40
27	A	663	632	149.57
28	A	589	562	14.76
29	A	500	476	4.44
30	A	443	422	21.42
31	A	400	381	20.19
32	A	322	306	6.03
33	A	239	228	25.20
34	A	161	154	2.27
35	A	136	130	1.00
36	A	62	60	6.83

Atom	x (Å)	y (Å)	z (Å)
H1	-2.613	0.460	-0.031
O2	-1.127	-1.429	0.164
C3	-0.756	-0.263	-0.030
N4	0.572	0.091	-0.272
H5	-1.497	1.552	-0.667
N6	-1.663	0.817	0.013
H7	1.776	-1.138	0.994
H8	2.456	-0.748	-0.615
H9	1.118	-1.922	-0.460
C10	1.540	-0.997	-0.072
H11	0.450	2.215	-0.235
H12	2.077	1.532	-0.212
H13	1.075	1.493	1.265
C14	1.060	1.406	0.169

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4112	1.9926	3.2160	1.6860	1.0164	4.7819	5.2443	4.4474	4.4018	3.5361	4.8144	4.0438	3.7984
O2	2.4112		1.2393	2.3216	3.1168	2.3137	3.0332	3.7302	2.3821	2.7128	3.9906	4.3787	3.8212	3.5809
C3	1.9926	1.2393		1.3961	2.0611	1.4102	2.8679	3.3015	2.5400	2.4115	2.7632	3.3584	2.8485	2.4745
N4	3.2160	2.3216	1.3961		2.5640	2.3672	2.1357	2.0909	2.0940	1.4698	2.1277	2.0838	2.1407	1.4704
H5	1.6860	3.1168	2.0611	2.5640		1.0154	4.5506	4.5746	4.3533	4.0098	2.1018	3.6032	3.2181	2.6945
N6	1.0164	2.3137	1.4102	2.3672	1.0154		4.0749	4.4511	3.9316	3.6818	2.5454	3.8139	3.0854	2.7900
H7	4.7819	3.0332	2.8679	2.1357	4.5506	4.0749		1.7897	1.7777	1.1000	3.8094	2.9447	2.7364	2.7688
H8	5.2443	3.7302	3.3015	2.0909	4.5746	4.4511	1.7897		1.7868	1.0937	3.5988	2.3461	3.2354	2.6846
H9	4.4474	2.3821	2.5400	2.0940	4.3533	3.9316	1.7777	1.7868		1.0887	4.1965	3.5927	3.8264	3.3876
C10	4.4018	2.7128	2.4115	1.4698	4.0098	3.6818	1.1000	1.0937	1.0887		3.3957	2.5883	2.8641	2.4623
H11	3.5361	3.9906	2.7632	2.1277	2.1018	2.5454	3.8094	3.5988	4.1965	3.3957		1.7649	1.7789	1.0908
H12	4.8144	4.3787	3.3584	2.0838	3.6032	3.8139	2.9447	2.3461	3.5927	2.5883	1.7649		1.7853	1.0931
H13	4.0438	3.8212	2.8485	2.1407	3.2181	3.0854	2.7364	3.2354	3.8264	2.8641	1.7789	1.7853		1.0999
C14	3.7984	3.5809	2.4745	1.4704	2.6945	2.7900	2.7688	2.6846	3.3876	2.4623	1.0908	1.0931	1.0999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.325	H1	N6	H5	112.158
O2	C3	N4	123.405	O2	C3	N6	121.548
C3	N4	C10	114.557	C3	N4	C14	119.343
C3	N6	H5	115.404	N4	C3	N6	115.030
N4	C10	H7	111.605	N4	C10	H8	108.404
N4	C10	H9	108.950	N4	C14	H11	111.491
N4	C14	H12	107.842	N4	C14	H13	111.978
H7	C10	H8	109.335	H7	C10	H9	108.620
H8	C10	H9	109.916	C10	N4	C14	113.742
H11	C14	H12	107.831	H11	C14	H13	108.593
H12	C14	H13	108.994

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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