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	hartrees
Energy at 0K	-303.679010
Energy at 298.15K	-303.688720
HF Energy	-303.679010
Nuclear repulsion energy	243.662783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3521	3494	1.94
2	A	3090	3067	2.19
3	A	3000	2978	0.00
4	A	2954	2931	1.43
5	A	1644	1632	133.30
6	A	1530	1518	33.67
7	A	1509	1498	0.00
8	A	1474	1463	7.51
9	A	1430	1419	55.50
10	A	1155	1146	7.52
11	A	1152	1143	8.24
12	A	1141	1132	0.00
13	A	889	882	4.59
14	A	485	481	1.30
15	A	287	285	0.00
16	A	230	228	1.47
17	A	156	155	0.00
18	A	75	74	0.00
19	B	3512	3485	5.47
20	B	3090	3066	0.03
21	B	3001	2978	114.85
22	B	2952	2929	185.54
23	B	1551	1539	155.71
24	B	1510	1499	16.34
25	B	1490	1479	201.54
26	B	1439	1428	5.97
27	B	1235	1226	311.86
28	B	1149	1140	1.52
29	B	1136	1127	50.12
30	B	1008	1000	2.10
31	B	706	700	20.38
32	B	674	669	7.70
33	B	516	512	287.07
34	B	350	348	29.95
35	B	122	121	13.07
36	B	98	97	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.101
O2	0.000	0.000	1.370
N3	0.000	1.176	-0.653
N4	0.000	-1.176	-0.653
C5	0.000	2.498	-0.010
C6	-0.000	-2.498	-0.010
H7	-0.000	1.133	-1.669
H8	0.000	-1.133	-1.669
H9	0.898	3.082	-0.281
H10	-0.898	-3.082	-0.281
H11	-0.000	2.325	1.075
H12	0.000	-2.325	1.075
H13	-0.898	3.082	-0.281
H14	0.898	-3.082	-0.281

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2687	1.3971	1.3971	2.5003	2.5003	2.1016	2.1016	3.2327	3.2327	2.5211	2.5211	3.2327	3.2327
O2	1.2687		2.3395	2.3395	2.8534	2.8534	3.2431	3.2431	3.6094	3.6094	2.3436	2.3436	3.6094	3.6094
N3	1.3971	2.3395		2.3529	1.4696	3.7302	1.0176	2.5232	2.1391	4.3679	2.0750	3.9048	2.1391	4.3679
N4	1.3971	2.3395	2.3529		3.7302	1.4696	2.5232	1.0176	4.3679	2.1391	3.9048	2.0750	4.3679	2.1391
C5	2.5003	2.8534	1.4696	3.7302		4.9958	2.1489	3.9920	1.1050	5.6581	1.0988	4.9435	1.1050	5.6581
C6	2.5003	2.8534	3.7302	1.4696	4.9958		3.9920	2.1489	5.6581	1.1050	4.9435	1.0988	5.6581	1.1050
H7	2.1016	3.2431	1.0176	2.5232	2.1489	3.9920		2.2656	2.5562	4.5276	2.9925	4.4148	2.5562	4.5276
H8	2.1016	3.2431	2.5232	1.0176	3.9920	2.1489	2.2656		4.5276	2.5562	4.4148	2.9925	4.5276	2.5562
H9	3.2327	3.6094	2.1391	4.3679	1.1050	5.6581	2.5562	4.5276		6.4202	1.7939	5.6463	1.7961	6.1639
H10	3.2327	3.6094	4.3679	2.1391	5.6581	1.1050	4.5276	2.5562	6.4202		5.6463	1.7939	6.1639	1.7961
H11	2.5211	2.3436	2.0750	3.9048	1.0988	4.9435	2.9925	4.4148	1.7939	5.6463		4.6502	1.7939	5.6464
H12	2.5211	2.3436	3.9048	2.0750	4.9435	1.0988	4.4148	2.9925	5.6463	1.7939	4.6502		5.6464	1.7939
H13	3.2327	3.6094	2.1391	4.3679	1.1050	5.6581	2.5562	4.5276	1.7961	6.1639	1.7939	5.6464		6.4202
H14	3.2327	3.6094	4.3679	2.1391	5.6581	1.1050	4.5276	2.5562	6.1639	1.7961	5.6464	1.7939	6.4202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	121.413	C1	N3	H7	120.180
C1	N4	C6	121.413	C1	N4	H8	120.180
O2	C1	N3	122.640	O2	C1	N4	122.640
N3	C1	N4	114.721	N3	C5	H9	111.591
N3	C5	H11	106.899	N3	C5	H13	111.591
N4	C6	H10	111.591	N4	C6	H12	106.899
N4	C6	H14	111.591	C5	N3	H7	118.406
C6	N4	H8	118.406	H9	C5	H11	108.982
H9	C5	H13	108.727	H10	C6	H12	108.982
H10	C6	H14	108.727	H11	C5	H13	108.982
H12	C6	H14	108.982

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

using model chemistry: BLYP/6-31G

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	0.637
2	O	-0.457
3	N	-0.586
4	N	-0.586
5	C	-0.218
6	C	-0.218
7	H	0.273
8	H	0.273
9	H	0.128
10	H	0.128
11	H	0.186
12	H	0.186
13	H	0.128
14	H	0.128

<r²>	199.862
(<r²>)^1/2	14.137

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

using model chemistry: BLYP/6-31G

States and conformations

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