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	hartrees
Energy at 0K	-303.539780
Energy at 298.15K	-303.549849
Nuclear repulsion energy	251.819647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3617	3576	32.18
2	A	3495	3455	14.49
3	A	3104	3068	1.00
4	A	3065	3030	9.82
5	A	3019	2985	18.24
6	A	3004	2969	49.17
7	A	2948	2914	82.15
8	A	2921	2887	75.67
9	A	1705	1686	425.83
10	A	1578	1560	148.71
11	A	1495	1478	84.51
12	A	1461	1444	15.68
13	A	1453	1437	12.41
14	A	1450	1434	18.07
15	A	1429	1412	58.78
16	A	1384	1369	110.02
17	A	1381	1365	25.88
18	A	1264	1250	19.71
19	A	1232	1218	56.28
20	A	1128	1115	2.71
21	A	1089	1077	3.39
22	A	1062	1050	50.44
23	A	1049	1037	12.61
24	A	1002	990	33.73
25	A	755	747	1.57
26	A	731	722	36.50
27	A	580	574	18.06
28	A	552	546	177.67
29	A	498	493	6.61
30	A	422	418	26.79
31	A	377	373	15.67
32	A	302	298	10.57
33	A	187	185	3.53
34	A	150	149	1.49
35	A	123	121	5.57
36	A	90	89	1.54

Atom	x (Å)	y (Å)	z (Å)
H1	2.555	0.680	0.163
O2	1.254	-1.346	-0.064
C3	0.766	-0.206	-0.017
N4	-0.597	0.038	-0.048
H5	1.278	1.748	0.530
N6	1.582	0.933	0.001
H7	-2.224	-1.106	-0.764
H8	-2.091	-1.022	1.025
H9	-0.923	-2.012	0.081
C10	-1.514	-1.086	0.083
H11	-1.302	1.798	0.959
H12	-2.165	1.333	-0.533
H13	-0.549	2.058	-0.659
C14	-1.171	1.375	-0.059

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4186	2.0048	3.2236	1.7047	1.0181	5.1852	5.0223	4.3988	4.4361	4.0936	4.8156	3.4940	3.7963
O2	2.4186		1.2411	2.3115	3.1512	2.3040	3.5558	3.5327	2.2812	2.7838	4.1791	4.3695	3.8977	3.6447
C3	2.0048	1.2411		1.3848	2.0933	1.4021	3.2102	3.1480	2.4741	2.4452	3.0402	3.3508	2.6957	2.5002
N4	3.2236	2.3115	1.3848		2.6030	2.3567	2.1137	2.1226	2.0795	1.4562	2.1466	2.0911	2.1107	1.4548
H5	1.7047	3.1512	2.0933	2.6030		1.0184	4.6996	4.3898	4.3802	4.0035	2.6158	3.6274	2.2019	2.5463
N6	1.0181	2.3040	1.4021	2.3567	1.0184		4.3853	4.2855	3.8675	3.6973	3.1598	3.8064	2.4984	2.7888
H7	5.1852	3.5558	3.2102	2.1137	4.6996	4.3853		1.7953	1.7961	1.1050	3.5002	2.4514	3.5813	2.7858
H8	5.0223	3.5327	3.1480	2.1226	4.3898	4.2855	1.7953		1.7985	1.1068	2.9289	2.8247	3.8337	2.7867
H9	4.3988	2.2812	2.4741	2.0795	4.3802	3.8675	1.7961	1.7985		1.0981	3.9279	3.6209	4.1531	3.3986
C10	4.4361	2.7838	2.4452	1.4562	4.0035	3.6973	1.1050	1.1068	1.0981		3.0216	2.5802	3.3710	2.4887
H11	4.0936	4.1791	3.0402	2.1466	2.6158	3.1598	3.5002	2.9289	3.9279	3.0216		1.7847	1.8034	1.1102
H12	4.8156	4.3695	3.3508	2.0911	3.6274	3.8064	2.4514	2.8247	3.6209	2.5802	1.7847		1.7755	1.1022
H13	3.4940	3.8977	2.6957	2.1107	2.2019	2.4984	3.5813	3.8337	4.1531	3.3710	1.8034	1.7755		1.1013
C14	3.7963	3.6447	2.5002	1.4548	2.5463	2.7888	2.7858	2.7867	3.3986	2.4887	1.1102	1.1022	1.1013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.866	H1	N6	H5	113.668
O2	C3	N4	123.256	O2	C3	N6	121.186
C3	N4	C10	118.765	C3	N4	C14	123.385
C3	N6	H5	118.870	N4	C3	N6	115.473
N4	C10	H7	110.485	N4	C10	H8	111.090
N4	C10	H9	108.187	N4	C14	H11	112.941
N4	C14	H12	108.949	N4	C14	H13	110.569
H7	C10	H8	108.522	H7	C10	H9	109.225
H8	C10	H9	109.307	C10	N4	C14	117.505
H11	C14	H12	107.548	H11	C14	H13	109.270
H12	C14	H13	107.367

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

using model chemistry: PBEPBE/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	0.321
2	O	-0.517
3	C	0.438
4	N	-0.132
5	H	0.286
6	N	-0.585
7	H	0.162
8	H	0.163
9	H	0.212
10	C	-0.408
11	H	0.172
12	H	0.172
13	H	0.184
14	C	-0.467

	x	y	z	Total
	-2.041	3.434	1.096	4.142
CHELPG
AIM
ESP

	x	y	z
x	10.533	-0.131	-0.091
y	-0.131	9.652	0.128
z	-0.091	0.128	6.662

<r²>	168.393
(<r²>)^1/2	12.977

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

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

States and conformations

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