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	hartrees
Energy at 0K	-303.828032
Energy at 298.15K	-303.838275
Nuclear repulsion energy	254.170750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3576	40.43
2	A	3634	3459	27.74
3	A	3204	3049	0.58
4	A	3162	3009	10.71
5	A	3119	2968	17.12
6	A	3104	2954	46.12
7	A	3045	2898	74.22
8	A	3022	2876	66.90
9	A	1788	1702	498.54
10	A	1643	1563	186.07
11	A	1555	1480	122.93
12	A	1518	1445	13.65
13	A	1510	1437	11.83
14	A	1505	1433	19.39
15	A	1489	1418	65.40
16	A	1449	1379	103.95
17	A	1439	1370	16.62
18	A	1328	1264	24.52
19	A	1286	1224	55.59
20	A	1173	1116	3.14
21	A	1133	1078	3.07
22	A	1108	1055	39.48
23	A	1092	1040	13.55
24	A	1048	997	35.21
25	A	788	750	2.49
26	A	775	738	40.37
27	A	605	576	8.75
28	A	556	529	185.76
29	A	518	493	5.73
30	A	435	414	39.99
31	A	390	372	19.60
32	A	313	298	12.70
33	A	194	185	4.60
34	A	154	147	1.56
35	A	120	115	5.89
36	A	92	88	2.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.539	0.667	0.154
O2	1.235	-1.337	-0.061
C3	0.758	-0.207	-0.017
N4	-0.590	0.040	-0.037
H5	1.271	1.738	0.493
N6	1.574	0.913	0.001
H7	-2.194	-1.093	-0.776
H8	-2.095	-1.006	0.999
H9	-0.927	-1.995	0.087
C10	-1.506	-1.073	0.076
H11	-1.251	1.809	0.946
H12	-2.151	1.325	-0.497
H13	-0.552	2.035	-0.683
C14	-1.152	1.371	-0.058

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4007	1.9916	3.1969	1.6939	1.0077	5.1348	4.9985	4.3705	4.4045	4.0362	4.7801	3.4817	3.7632
O2	2.4007		1.2265	2.2858	3.1245	2.2761	3.5109	3.5099	2.2643	2.7570	4.1335	4.3285	3.8658	3.6091
C3	1.9916	1.2265		1.3706	2.0756	1.3863	3.1742	3.1315	2.4582	2.4258	3.0044	3.3226	2.6809	2.4778
N4	3.1969	2.2858	1.3706		2.5744	2.3336	2.0984	2.1049	2.0659	1.4463	2.1288	2.0735	2.0974	1.4447
H5	1.6939	3.1245	2.0756	2.5744		1.0070	4.6511	4.3718	4.3505	3.9738	2.5628	3.5859	2.1893	2.5116
N6	1.0077	2.2761	1.3863	2.3336	1.0070		4.3389	4.2586	3.8360	3.6658	3.1099	3.7801	2.4987	2.7644
H7	5.1348	3.5109	3.1742	2.0984	4.6511	4.3389		1.7798	1.7787	1.0953	3.5039	2.4347	3.5343	2.7700
H8	4.9985	3.5099	3.1315	2.1049	4.3718	4.2586	1.7798		1.7814	1.0966	2.9390	2.7703	3.8021	2.7664
H9	4.3705	2.2643	2.4582	2.0659	4.3505	3.8360	1.7787	1.7814		1.0883	3.9127	3.5861	4.1196	3.3759
C10	4.4045	2.7570	2.4258	1.4463	3.9738	3.6658	1.0953	1.0966	1.0883		3.0216	2.5490	3.3391	2.4733
H11	4.0362	4.1335	3.0044	2.1288	2.5628	3.1099	3.5039	2.9390	3.9127	3.0216		1.7684	1.7871	1.0997
H12	4.7801	4.3285	3.3226	2.0735	3.5859	3.7801	2.4347	2.7703	3.5861	2.5490	1.7684		1.7593	1.0922
H13	3.4817	3.8658	2.6809	2.0974	2.1893	2.4987	3.5343	3.8021	4.1196	3.3391	1.7871	1.7593		1.0921
C14	3.7632	3.6091	2.4778	1.4447	2.5116	2.7644	2.7700	2.7664	3.3759	2.4733	1.0997	1.0922	1.0921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.617	H1	N6	H5	114.449
O2	C3	N4	123.228	O2	C3	N6	121.058
C3	N4	C10	118.874	C3	N4	C14	123.298
C3	N6	H5	119.442	N4	C3	N6	115.660
N4	C10	H7	110.542	N4	C10	H8	110.992
N4	C10	H9	108.364	N4	C14	H11	112.877
N4	C14	H12	108.849	N4	C14	H13	110.778
H7	C10	H8	108.582	H7	C10	H9	109.090
H8	C10	H9	109.242	C10	N4	C14	117.637
H11	C14	H12	107.574	H11	C14	H13	109.248
H12	C14	H13	107.312

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

using model chemistry: mPW1PW91/6-31+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	H	0.332
2	O	-0.557
3	C	0.502
4	N	-0.149
5	H	0.298
6	N	-0.630
7	H	0.158
8	H	0.158
9	H	0.214
10	C	-0.389
11	H	0.169
12	H	0.171
13	H	0.182
14	C	-0.457

	x	y	z	Total
	-2.052	3.596	1.069	4.276
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	165.481
(<r²>)^1/2	12.864

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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