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	hartrees
Energy at 0K	-302.381756
Energy at 298.15K	-302.391576
HF Energy	-302.381756
Nuclear repulsion energy	249.891697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3551	3514	25.11
2	A	3052	3020	0.63
3	A	3007	2975	0.68
4	A	2946	2915	0.41
5	A	1769	1750	222.79
6	A	1480	1464	29.54
7	A	1429	1414	0.06
8	A	1426	1411	0.00
9	A	1354	1340	39.09
10	A	1208	1196	3.21
11	A	1137	1125	9.87
12	A	1103	1091	1.32
13	A	922	912	8.96
14	A	506	501	2.57
15	A	263	260	15.24
16	A	239	236	0.89
17	A	162	160	0.11
18	A	92	91	4.22
19	B	3546	3509	9.78
20	B	3051	3019	0.23
21	B	3007	2975	59.02
22	B	2944	2913	157.24
23	B	1564	1547	460.60
24	B	1432	1418	32.58
25	B	1428	1413	57.27
26	B	1363	1348	8.87
27	B	1217	1204	140.98
28	B	1113	1102	0.89
29	B	1105	1094	22.54
30	B	1078	1067	22.01
31	B	750	742	3.48
32	B	693	685	7.96
33	B	453	448	169.50
34	B	360	356	54.84
35	B	157	155	3.56
36	B	99	98	14.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.313
N3	0.000	1.151	-0.649
N4	0.000	-1.151	-0.649
C5	-0.086	2.417	0.008
C6	0.086	-2.417	0.008
H7	-0.175	1.098	-1.649
H8	0.175	-1.098	-1.649
H9	0.720	3.101	-0.304
H10	-0.720	-3.101	-0.304
H11	0.019	2.204	1.083
H12	-0.019	-2.204	1.083
H13	-1.059	2.914	-0.152
H14	1.059	-2.914	-0.152

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2231	1.3677	1.3677	2.4196	2.4196	2.0637	2.0637	3.2075	3.2075	2.4180	2.4180	3.1102	3.1102
O2	1.2231		2.2748	2.2748	2.7479	2.7479	3.1635	3.1635	3.5701	3.5701	2.2163	2.2163	3.4294	3.4294
N3	1.3677	2.2748		2.3015	1.4290	3.6285	1.0161	2.4670	2.1073	4.3259	2.0281	3.7762	2.1164	4.2301
N4	1.3677	2.2748	2.3015		3.6285	1.4290	2.4670	1.0161	4.3259	2.1073	3.7762	2.0281	4.2301	2.1164
C5	2.4196	2.7479	1.4290	3.6285		4.8365	2.1194	3.8943	1.1025	5.5624	1.1015	4.7450	1.1042	5.4550
C6	2.4196	2.7479	3.6285	1.4290	4.8365		3.8943	2.1194	5.5624	1.1025	4.7450	1.1015	5.4550	1.1042
H7	2.0637	3.1635	1.0161	2.4670	2.1194	3.8943		2.2235	2.5734	4.4426	2.9543	4.2890	2.5143	4.4565
H8	2.0637	3.1635	2.4670	1.0161	3.8943	2.1194	2.2235		4.4426	2.5734	4.2890	2.9543	4.4565	2.5143
H9	3.2075	3.5701	2.1073	4.3259	1.1025	5.5624	2.5734	4.4426		6.3666	1.7942	5.5329	1.7955	6.0265
H10	3.2075	3.5701	4.3259	2.1073	5.5624	1.1025	4.4426	2.5734	6.3666		5.5329	1.7942	6.0265	1.7955
H11	2.4180	2.2163	2.0281	3.7762	1.1015	4.7450	2.9543	4.2890	1.7942	5.5329		4.4088	1.7869	5.3674
H12	2.4180	2.2163	3.7762	2.0281	4.7450	1.1015	4.2890	2.9543	5.5329	1.7942	4.4088		5.3674	1.7869
H13	3.1102	3.4294	2.1164	4.2301	1.1042	5.4550	2.5143	4.4565	1.7955	6.0265	1.7869	5.3674		6.2015
H14	3.1102	3.4294	4.2301	2.1164	5.4550	1.1042	4.4565	2.5143	6.0265	1.7955	5.3674	1.7869	6.2015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.791	C1	N3	H7	119.203
C1	N4	C6	119.791	C1	N4	H8	119.203
O2	C1	N3	122.712	O2	C1	N4	122.712
N3	C1	N4	114.576	N3	C5	H9	112.057
N3	C5	H11	105.816	N3	C5	H13	112.693
N4	C6	H10	112.057	N4	C6	H12	105.816
N4	C6	H14	112.693	C5	N3	H7	119.217
C6	N4	H8	119.217	H9	C5	H11	108.998
H9	C5	H13	108.904	H10	C6	H12	108.998
H10	C6	H14	108.904	H11	C5	H13	108.213
H12	C6	H14	108.213

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	0.500
2	O	-0.382
3	N	-0.453
4	N	-0.453
5	C	-0.310
6	C	-0.310
7	H	0.225
8	H	0.225
9	H	0.151
10	H	0.151
11	H	0.178
12	H	0.178
13	H	0.149
14	H	0.149

	x	y	z
x	5.617	-0.210	0.000
y	-0.210	11.085	0.000
z	0.000	0.000	7.547

<r²>	190.155
(<r²>)^1/2	13.790

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

using model chemistry: SVWN/6-311G**

States and conformations

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