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	hartrees
Energy at 0K	-300.960118
Energy at 298.15K	-300.970459
HF Energy	-300.354737
Nuclear repulsion energy	250.345582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3674	3507	21.03
2	A	3548	3387	23.84
3	A	3197	3052	0.55
4	A	3171	3027	8.82
5	A	3112	2971	24.57
6	A	3108	2967	53.93
7	A	3061	2922	54.28
8	A	3048	2909	48.98
9	A	1746	1666	161.53
10	A	1700	1623	164.86
11	A	1626	1552	5.96
12	A	1615	1541	9.52
13	A	1604	1531	7.46
14	A	1602	1529	16.88
15	A	1531	1462	41.59
16	A	1498	1430	16.96
17	A	1428	1363	216.98
18	A	1295	1237	125.31
19	A	1280	1222	7.74
20	A	1210	1155	4.36
21	A	1172	1119	3.08
22	A	1115	1065	49.17
23	A	1104	1054	61.01
24	A	1019	972	36.41
25	A	770	735	66.96
26	A	741	707	11.81
27	A	602	574	4.13
28	A	579	552	193.86
29	A	509	486	15.51
30	A	446	425	58.67
31	A	383	365	29.57
32	A	309	295	34.16
33	A	202	192	11.15
34	A	174	167	3.93
35	A	152	145	3.63
36	A	90	86	5.13

Atom	x (Å)	y (Å)	z (Å)
H1	2.570	0.739	0.034
O2	1.253	-1.361	-0.132
C3	0.771	-0.210	-0.010
N4	-0.597	0.050	0.049
H5	1.297	1.716	0.651
N6	1.577	0.943	0.059
H7	-2.173	-1.120	-0.770
H8	-2.132	-1.070	1.014
H9	-0.894	-2.002	0.112
C10	-1.515	-1.105	0.108
H11	-0.461	2.033	-0.643
H12	-1.467	1.857	0.826
H13	-2.080	1.310	-0.751
C14	-1.181	1.393	-0.128

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4841	2.0348	3.2413	1.7190	1.0141	5.1575	5.1324	4.4180	4.4824	3.3647	4.2638	4.7501	3.8114
O2	2.4841		1.2537	2.3339	3.1747	2.3340	3.4935	3.5853	2.2539	2.7900	3.8365	4.3212	4.3153	3.6754
C3	2.0348	1.2537		1.3936	2.1029	1.4085	3.1735	3.1958	2.4489	2.4573	2.6363	3.1592	3.3142	2.5286
N4	3.2413	2.3339	1.3936		2.5930	2.3502	2.1269	2.1313	2.0747	1.4767	2.1047	2.1505	2.1034	1.4749
H5	1.7190	3.1747	2.1029	2.5930		1.0129	4.7012	4.4330	4.3489	4.0197	2.2060	2.7738	3.6788	2.6179
N6	1.0141	2.3340	1.4085	2.3502	1.0129		4.3594	4.3267	3.8445	3.7088	2.4157	3.2701	3.7633	2.8010
H7	5.1575	3.4935	3.1735	2.1269	4.7012	4.3594		1.7853	1.7867	1.0975	3.5901	3.4505	2.4312	2.7766
H8	5.1324	3.5853	3.1958	2.1313	4.4330	4.3267	1.7853		1.7930	1.0968	3.8950	3.0076	2.9637	2.8770
H9	4.4180	2.2539	2.4489	2.0747	4.3489	3.8445	1.7867	1.7930		1.0909	4.1281	3.9662	3.6219	3.4157
C10	4.4824	2.7900	2.4573	1.4767	4.0197	3.7088	1.0975	1.0968	1.0909		3.3947	3.0481	2.6246	2.5313
H11	3.3647	3.8365	2.6363	2.1047	2.2060	2.4157	3.5901	3.8950	4.1281	3.3947		1.7898	1.7764	1.0926
H12	4.2638	4.3212	3.1592	2.1505	2.7738	3.2701	3.4505	3.0076	3.9662	3.0481	1.7898		1.7783	1.0992
H13	4.7501	4.3153	3.3142	2.1034	3.6788	3.7633	2.4312	2.9637	3.6219	2.6246	1.7764	1.7783		1.0965
C14	3.8114	3.6754	2.5286	1.4749	2.6179	2.8010	2.7766	2.8770	3.4157	2.5313	1.0926	1.0992	1.0965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	113.260	H1	N6	H5	115.995
O2	C3	N4	123.592	O2	C3	N6	122.392
C3	N4	C10	117.737	C3	N4	C14	123.619
C3	N6	H5	119.662	N4	C3	N6	114.009
N4	C10	H7	110.565	N4	C10	H8	110.963
N4	C10	H9	106.846	N4	C14	H11	109.213
N4	C14	H12	112.510	N4	C14	H13	108.884
H7	C10	H8	108.901	H7	C10	H9	109.459
H8	C10	H9	110.085	C10	N4	C14	118.100
H11	C14	H12	109.491	H11	C14	H13	108.481
H12	C14	H13	108.177

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

using model chemistry: MP2/3-21G

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	ESP
1	H	0.316	0.403
2	O	-0.513	-0.537
3	C	0.855	0.771
4	N	-0.675	-0.245
5	H	0.306	0.394
6	N	-0.778	-0.974
7	H	0.179	0.122
8	H	0.180	0.113
9	H	0.234	0.139
10	C	-0.343	-0.298
11	H	0.209	0.091
12	H	0.180	0.077
13	H	0.197	0.107
14	C	-0.346	-0.162

	x	y	z	Total
	-1.356	3.108	1.023	3.542
CHELPG
AIM
ESP	-1.365	3.108	1.023	3.545

	x	y	z
x	7.871	-0.176	-0.175
y	-0.176	7.155	0.349
z	-0.175	0.349	4.130

<r²>	169.382
(<r²>)^1/2	13.015

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

using model chemistry: MP2/3-21G

States and conformations

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