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	hartrees
Energy at 0K	-303.584740
Energy at 298.15K	-303.594683
HF Energy	-303.584740
Nuclear repulsion energy	248.547124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3499	27.02
2	A	3188	3044	5.80
3	A	3133	2992	7.23
4	A	3048	2910	4.17
5	A	1796	1715	301.91
6	A	1537	1468	25.38
7	A	1497	1430	0.16
8	A	1487	1419	1.77
9	A	1446	1381	10.69
10	A	1219	1164	1.71
11	A	1190	1137	2.81
12	A	1146	1094	5.84
13	A	937	894	3.93
14	A	526	502	34.95
15	A	398	380	60.31
16	A	228	217	4.21
17	A	178	170	0.01
18	A	81	77	0.26
19	B	3661	3495	10.21
20	B	3188	3043	2.61
21	B	3134	2992	48.92
22	B	3046	2909	128.75
23	B	1591	1519	448.64
24	B	1511	1443	6.09
25	B	1490	1422	70.69
26	B	1451	1386	7.07
27	B	1277	1219	190.99
28	B	1158	1105	12.66
29	B	1144	1092	15.34
30	B	1073	1024	1.20
31	B	771	736	12.24
32	B	726	693	22.08
33	B	489	466	138.48
34	B	328	313	44.99
35	B	123	118	12.15
36	B	87	83	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.091
O2	0.000	0.000	1.316
N3	0.000	1.158	-0.655
N4	0.000	-1.158	-0.655
C5	-0.193	2.427	0.012
C6	0.193	-2.427	0.012
H7	-0.343	1.090	-1.601
H8	0.343	-1.090	-1.601
H9	0.172	3.232	-0.631
H10	-0.172	-3.232	-0.631
H11	0.384	2.423	0.938
H12	-0.384	-2.423	0.938
H13	-1.243	2.618	0.269
H14	1.243	-2.618	0.269

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2248	1.3776	1.3776	2.4362	2.4362	2.0421	2.0421	3.3160	3.3160	2.5954	2.5954	2.9035	2.9035
O2	1.2248		2.2860	2.2860	2.7620	2.7620	3.1331	3.1331	3.7770	3.7770	2.4825	2.4825	3.0813	3.0813
N3	1.3776	2.2860		2.3158	1.4469	3.6518	1.0087	2.4627	2.0812	4.3932	2.0702	3.9382	2.1284	4.0812
N4	1.3776	2.2860	2.3158		3.6518	1.4469	2.4627	1.0087	4.3932	2.0812	3.9382	2.0702	4.0812	2.1284
C5	2.4362	2.7620	1.4469	3.6518		4.8698	2.1012	3.9063	1.0927	5.6955	1.0906	4.9417	1.0978	5.2518
C6	2.4362	2.7620	3.6518	1.4469	4.8698		3.9063	2.1012	5.6955	1.0927	4.9417	1.0906	5.2518	1.0978
H7	2.0421	3.1331	1.0087	2.4627	2.1012	3.9063		2.2846	2.4073	4.4324	2.9586	4.3347	2.5778	4.4452
H8	2.0421	3.1331	2.4627	1.0087	3.9063	2.1012	2.2846		4.4324	2.4073	4.3347	2.9586	4.4452	2.5778
H9	3.3160	3.7770	2.0812	4.3932	1.0927	5.6955	2.4073	4.4324		6.4728	1.7776	5.8949	1.7855	6.0148
H10	3.3160	3.7770	4.3932	2.0812	5.6955	1.0927	4.4324	2.4073	6.4728		5.8949	1.7776	6.0148	1.7855
H11	2.5954	2.4825	2.0702	3.9382	1.0906	4.9417	2.9586	4.3347	1.7776	5.8949		4.9070	1.7696	5.1574
H12	2.5954	2.4825	3.9382	2.0702	4.9417	1.0906	4.3347	2.9586	5.8949	1.7776	4.9070		5.1574	1.7696
H13	2.9035	3.0813	2.1284	4.0812	1.0978	5.2518	2.5778	4.4452	1.7855	6.0148	1.7696	5.1574		5.7960
H14	2.9035	3.0813	4.0812	2.1284	5.2518	1.0978	4.4452	2.5778	6.0148	1.7855	5.1574	1.7696	5.7960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.182	C1	N3	H7	116.837
C1	N4	C6	119.182	C1	N4	H8	116.837
O2	C1	N3	122.803	O2	C1	N4	122.803
N3	C1	N4	114.394	N3	C5	H9	109.278
N3	C5	H11	108.528	N3	C5	H13	112.813
N4	C6	H10	109.278	N4	C6	H12	108.528
N4	C6	H14	112.813	C5	N3	H7	116.533
C6	N4	H8	116.533	H9	C5	H11	109.019
H9	C5	H13	109.204	H10	C6	H12	109.019
H10	C6	H14	109.204	H11	C5	H13	107.927
H12	C6	H14	107.927

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: HSEh1PBE/6-31+G**

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	C	0.426
2	O	-0.574
3	N	-0.420
4	N	-0.420
5	C	-0.323
6	C	-0.323
7	H	0.297
8	H	0.297
9	H	0.155
10	H	0.155
11	H	0.200
12	H	0.200
13	H	0.165
14	H	0.165

	x	y	z
x	6.298	-0.416	0.000
y	-0.416	10.297	0.000
z	0.000	0.000	8.124

<r²>	192.143
(<r²>)^1/2	13.862

All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)