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	hartrees
Energy at 0K	-302.160229
Energy at 298.15K	-302.170732
Nuclear repulsion energy	256.466410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3943	3590	43.99
2	A	3823	3480	40.07
3	A	3314	3017	4.52
4	A	3260	2967	28.50
5	A	3210	2922	42.70
6	A	3201	2914	45.36
7	A	3154	2871	53.05
8	A	3142	2860	72.05
9	A	1890	1721	572.87
10	A	1775	1616	178.51
11	A	1651	1503	99.10
12	A	1632	1486	4.16
13	A	1625	1480	6.45
14	A	1620	1475	9.15
15	A	1608	1464	33.85
16	A	1568	1428	6.78
17	A	1544	1406	251.12
18	A	1408	1282	36.27
19	A	1374	1251	35.70
20	A	1267	1153	9.23
21	A	1224	1114	2.09
22	A	1197	1090	45.61
23	A	1168	1064	31.51
24	A	1108	1009	27.08
25	A	875	797	50.16
26	A	826	752	5.38
27	A	649	591	12.00
28	A	567	516	91.50
29	A	551	502	31.88
30	A	446	406	5.48
31	A	412	375	109.76
32	A	350	319	11.45
33	A	229	209	9.30
34	A	145	132	2.21
35	A	104	95	7.64
36	A	76	70	3.53

Atom	x (Å)	y (Å)	z (Å)
H1	-2.544	0.612	-0.070
O2	-1.177	-1.340	0.058
C3	-0.745	-0.223	-0.018
N4	0.582	0.056	-0.139
H5	-1.321	1.723	-0.358
N6	-1.589	0.856	0.036
H7	1.866	-1.155	1.014
H8	2.375	-0.858	-0.645
H9	1.043	-1.957	-0.313
C10	1.519	-1.042	-0.009
H11	0.712	2.096	-0.650
H12	2.173	1.364	-0.064
H13	0.898	1.763	1.070
C14	1.103	1.389	0.072

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3870	1.9839	3.1758	1.6773	0.9917	4.8730	5.1664	4.4186	4.3872	3.6251	4.7772	3.8046	3.7321
O2	2.3870		1.1999	2.2546	3.0948	2.2351	3.1946	3.6529	2.3334	2.7132	3.9845	4.3074	3.8682	3.5568
C3	1.9839	1.1999		1.3619	2.0578	1.3712	2.9584	3.2457	2.5078	2.4078	2.8111	3.3230	2.7986	2.4550
N4	3.1758	2.2546	1.3619		2.5389	2.3202	2.1087	2.0756	2.0723	1.4494	2.1064	2.0613	2.1157	1.4469
H5	1.6773	3.0948	2.0578	2.5389		0.9890	4.5079	4.5173	4.3736	3.9787	2.0875	3.5250	2.6391	2.4845
N6	0.9917	2.2351	1.3712	2.3202	0.9890		4.1155	4.3724	3.8680	3.6420	2.7023	3.7978	2.8420	2.7447
H7	4.8730	3.1946	2.9584	2.1087	4.5079	4.1155		1.7613	1.7549	1.0868	3.8302	2.7578	3.0753	2.8187
H8	5.1664	3.6529	3.2457	2.0756	4.5173	4.3724	1.7613		1.7583	1.0821	3.3899	2.3060	3.4636	2.6803
H9	4.4186	2.3334	2.5078	2.0723	4.3736	3.8680	1.7549	1.7583		1.0749	4.0797	3.5166	3.9712	3.3686
C10	4.3872	2.7132	2.4078	1.4494	3.9787	3.6420	1.0868	1.0821	1.0749		3.3023	2.4939	3.0691	2.4678
H11	3.6251	3.9845	2.8111	2.1064	2.0875	2.7023	3.8302	3.3899	4.0797	3.3023		1.7361	1.7621	1.0833
H12	4.7772	4.3074	3.3230	2.0613	3.5250	3.7978	2.7578	2.3060	3.5166	2.4939	1.7361		1.7528	1.0791
H13	3.8046	3.8682	2.7986	2.1157	2.6391	2.8420	3.0753	3.4636	3.9712	3.0691	1.7621	1.7528		1.0854
C14	3.7321	3.5568	2.4550	1.4469	2.4845	2.7447	2.8187	2.6803	3.3686	2.4678	1.0833	1.0791	1.0854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	113.220	H1	N6	H5	115.732
O2	C3	N4	123.180	O2	C3	N6	120.622
C3	N4	C10	117.811	C3	N4	C14	121.832
C3	N6	H5	120.493	N4	C3	N6	116.190
N4	C10	H7	111.695	N4	C10	H8	109.295
N4	C10	H9	109.463	N4	C14	H11	111.914
N4	C14	H12	108.502	N4	C14	H13	112.547
H7	C10	H8	108.601	H7	C10	H9	108.547
H8	C10	H9	109.200	C10	N4	C14	116.874
H11	C14	H12	106.813	H11	C14	H13	108.687
H12	C14	H13	108.151

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

using model chemistry: HF/aug-cc-pVTZ

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	H	0.130
2	O	-0.773
3	C	0.280
4	N	0.314
5	H	0.160
6	N	-0.284
7	H	0.318
8	H	0.366
9	H	0.395
10	C	-0.981
11	H	0.293
12	H	0.356
13	H	0.333
14	C	-0.908

	x	y	z	Total
	1.848	3.745	-0.674	4.231
CHELPG
AIM
ESP

	x	y	z
x	8.889	0.013	0.014
y	0.013	8.657	-0.039
z	0.014	-0.039	6.270

<r²>	162.879
(<r²>)^1/2	12.762

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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