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	hartrees
Energy at 0K	-303.583946
Energy at 298.15K	-303.594188
HF Energy	-303.583946
Nuclear repulsion energy	254.165927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3579	40.50
2	A	3625	3461	26.91
3	A	3196	3051	0.57
4	A	3154	3011	10.63
5	A	3111	2970	16.65
6	A	3096	2956	46.93
7	A	3037	2900	74.71
8	A	3013	2877	67.44
9	A	1786	1705	498.77
10	A	1637	1563	191.78
11	A	1552	1482	127.16
12	A	1512	1443	14.40
13	A	1504	1436	12.76
14	A	1499	1431	19.43
15	A	1484	1417	65.09
16	A	1446	1380	94.40
17	A	1433	1368	15.68
18	A	1329	1269	23.61
19	A	1284	1226	54.88
20	A	1170	1117	3.25
21	A	1129	1078	3.28
22	A	1106	1056	39.31
23	A	1090	1041	12.30
24	A	1047	999	35.97
25	A	789	753	2.31
26	A	774	739	40.07
27	A	605	577	8.59
28	A	556	531	185.60
29	A	518	494	5.40
30	A	435	415	38.04
31	A	391	373	20.74
32	A	315	301	12.87
33	A	193	184	4.28
34	A	154	147	1.63
35	A	122	116	5.89
36	A	93	88	2.06

Atom	x (Å)	y (Å)	z (Å)
H1	-2.582	0.305	0.078
O2	-0.953	-1.345	0.405
C3	-0.703	-0.227	-0.029
N4	0.573	0.175	-0.398
H5	-1.749	1.057	-1.140
N6	-1.694	0.727	-0.177
H7	1.633	-1.182	0.840
H8	2.533	-0.517	-0.549
H9	1.290	-1.764	-0.802
C10	1.564	-0.891	-0.211
H11	0.265	2.176	0.207
H12	1.965	1.702	0.013
H13	1.046	1.147	1.431
C14	0.984	1.372	0.358

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3420	1.9560	3.1927	1.6560	1.0157	4.5344	5.2185	4.4774	4.3245	3.4094	4.7568	3.9625	3.7327
O2	2.3420		1.2257	2.2991	2.9655	2.2771	2.6277	3.7083	2.5814	2.6309	3.7319	4.2372	3.3556	3.3375
C3	1.9560	1.2257		1.3872	1.9945	1.3841	2.6693	3.2902	2.6325	2.3688	2.6018	3.2922	2.6605	2.3564
N4	3.1927	2.2991	1.3872		2.5919	2.3433	2.1217	2.0848	2.1069	1.4678	2.1131	2.1065	2.1243	1.4743
H5	1.6560	2.9655	1.9945	2.5919		1.0193	4.5141	4.6006	4.1604	3.9539	2.6694	3.9419	3.7988	3.1330
N6	1.0157	2.2771	1.3841	2.3433	1.0193		3.9690	4.4223	3.9373	3.6379	2.4669	3.7911	3.2046	2.8062
H7	4.5344	2.6277	2.6693	2.1217	4.5141	3.9690		1.7840	1.7755	1.0931	3.6815	3.0188	2.4736	2.6790
H8	5.2185	3.7083	3.2902	2.0848	4.6006	4.4223	1.7840		1.7789	1.0925	3.6014	2.3584	2.9831	2.6060
H9	4.4774	2.5814	2.6325	2.1069	4.1604	3.9373	1.7755	1.7789		1.0893	4.1947	3.6237	3.6765	3.3576
C10	4.3245	2.6309	2.3688	1.4678	3.9539	3.6379	1.0931	1.0925	1.0893		3.3570	2.6330	2.6675	2.4042
H11	3.4094	3.7319	2.6018	2.1131	2.6694	2.4669	3.6815	3.6014	4.1947	3.3570		1.7753	1.7795	1.0895
H12	4.7568	4.2372	3.2922	2.1065	3.9419	3.7911	3.0188	2.3584	3.6237	2.6330	1.7753		1.7783	1.0910
H13	3.9625	3.3556	2.6605	2.1243	3.7988	3.2046	2.4736	2.9831	3.6765	2.6675	1.7795	1.7783		1.0972
C14	3.7327	3.3375	2.3564	1.4743	3.1330	2.8062	2.6790	2.6060	3.3576	2.4042	1.0895	1.0910	1.0972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	108.210	H1	N6	H5	108.929
O2	C3	N4	123.144	O2	C3	N6	121.393
C3	N4	C10	112.104	C3	N4	C14	110.834
C3	N6	H5	111.259	N4	C3	N6	115.462
N4	C10	H7	111.048	N4	C10	H8	108.136
N4	C10	H9	110.077	N4	C14	H11	110.106
N4	C14	H12	109.500	N4	C14	H13	110.542
H7	C10	H8	109.427	H7	C10	H9	108.890
H8	C10	H9	109.239	C10	N4	C14	109.601
H11	C14	H12	109.014	H11	C14	H13	108.932
H12	C14	H13	108.713

All results from a given calculation for N(CH₃)₂CONH₂ (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	H	0.330
2	O	-0.562
3	C	0.518
4	N	-0.172
5	H	0.296
6	N	-0.629
7	H	0.157
8	H	0.157
9	H	0.212
10	C	-0.379
11	H	0.168
12	H	0.170
13	H	0.180
14	C	-0.444

	x	y	z	Total
	-2.038	3.589	1.068	4.263
CHELPG
AIM
ESP

	x	y	z
x	9.637	-0.163	-0.077
y	-0.163	8.933	0.114
z	-0.077	0.114	6.278

<r²>	165.521
(<r²>)^1/2	12.866

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

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

States and conformations

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