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	hartrees
Energy at 0K	-303.758842
Energy at 298.15K	-303.768948
HF Energy	-303.758842
Nuclear repulsion energy	250.649673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3536	3507	13.90
2	A	3428	3400	6.79
3	A	3103	3078	1.84
4	A	3059	3034	11.69
5	A	2996	2972	31.08
6	A	2979	2955	55.79
7	A	2940	2917	78.55
8	A	2910	2887	76.15
9	A	1718	1705	295.21
10	A	1612	1599	98.55
11	A	1521	1508	18.08
12	A	1497	1485	13.72
13	A	1489	1477	18.26
14	A	1487	1475	5.69
15	A	1455	1443	40.09
16	A	1413	1401	7.12
17	A	1385	1373	173.43
18	A	1248	1238	61.45
19	A	1238	1228	21.76
20	A	1149	1140	2.72
21	A	1110	1101	3.62
22	A	1078	1070	84.29
23	A	1060	1051	15.95
24	A	993	985	32.99
25	A	752	746	98.87
26	A	738	732	10.08
27	A	610	605	138.10
28	A	572	567	20.13
29	A	496	492	8.86
30	A	430	427	23.72
31	A	380	377	12.52
32	A	308	306	8.20
33	A	187	186	4.92
34	A	152	150	1.24
35	A	132	131	4.60
36	A	84	83	1.71

Atom	x (Å)	y (Å)	z (Å)
H1	-2.584	0.654	-0.076
O2	-1.217	-1.373	0.074
C3	-0.764	-0.227	-0.019
N4	0.600	0.056	-0.138
H5	-1.334	1.763	-0.444
N6	-1.603	0.902	0.030
H7	1.892	-1.220	1.014
H8	2.413	-0.894	-0.671
H9	1.026	-1.983	-0.347
C10	1.537	-1.070	-0.024
H11	0.809	2.116	-0.694
H12	2.232	1.370	0.043
H13	0.845	1.819	1.072
C14	1.135	1.406	0.088

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4502	2.0232	3.2408	1.7109	1.0177	4.9737	5.2647	4.4789	4.4679	3.7457	4.8708	3.7986	3.7979
O2	2.4502		1.2363	2.3216	3.1807	2.3083	3.2518	3.7357	2.3616	2.7725	4.1075	4.4073	3.9286	3.6413
C3	2.0232	1.2363		1.3982	2.1128	1.4072	3.0177	3.3104	2.5288	2.4507	2.9016	3.3957	2.8212	2.5068
N4	3.2408	2.3216	1.3982		2.5976	2.3658	2.1500	2.1143	2.0935	1.4691	2.1445	2.1032	2.1516	1.4700
H5	1.7109	3.1807	2.1128	2.5976		1.0185	4.6287	4.5983	4.4282	4.0549	2.1857	3.6203	2.6540	2.5502
N6	1.0177	2.3083	1.4072	2.3658	1.0185		4.2053	4.4540	3.9210	3.7082	2.7952	3.8635	2.8134	2.7844
H7	4.9737	3.2518	3.0177	2.1500	4.6287	4.2053		1.7930	1.7848	1.1073	3.9014	2.7867	3.2142	2.8857
H8	5.2647	3.7357	3.3104	2.1143	4.5983	4.4540	1.7930		1.7930	1.1022	3.4112	2.3808	3.5850	2.7385
H9	4.4789	2.3616	2.5288	2.0935	4.4282	3.9210	1.7848	1.7930		1.0955	4.1202	3.5852	4.0618	3.4192
C10	4.4679	2.7725	2.4507	1.4691	4.0549	3.7082	1.1073	1.1022	1.0955		3.3366	2.5380	3.1660	2.5113
H11	3.7457	4.1075	2.9016	2.1445	2.1857	2.7952	3.9014	3.4112	4.1202	3.3366		1.7683	1.7911	1.1055
H12	4.8708	4.4073	3.3957	2.1032	3.6203	3.8635	2.7867	2.3808	3.5852	2.5380	1.7683		1.7848	1.0988
H13	3.7986	3.9286	2.8212	2.1516	2.6540	2.8134	3.2142	3.5850	4.0618	3.1660	1.7911	1.7848		1.1055
C14	3.7979	3.6413	2.5068	1.4700	2.5502	2.7844	2.8857	2.7385	3.4192	2.5113	1.1055	1.0988	1.1055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	112.092	H1	N6	H5	114.335
O2	C3	N4	123.463	O2	C3	N6	121.527
C3	N4	C10	117.434	C3	N4	C14	121.839
C3	N6	H5	120.301	N4	C3	N6	114.984
N4	C10	H7	112.370	N4	C10	H8	109.804
N4	C10	H9	108.555	N4	C14	H11	111.973
N4	C14	H12	109.062	N4	C14	H13	112.553
H7	C10	H8	108.483	H7	C10	H9	108.239
H8	C10	H9	109.342	C10	N4	C14	117.399
H11	C14	H12	106.679	H11	C14	H13	108.209
H12	C14	H13	108.130

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

using model chemistry: BLYP/6-31G*

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	0.315
2	O	-0.498
3	C	0.626
4	N	-0.339
5	H	0.299
6	N	-0.704
7	H	0.135
8	H	0.132
9	H	0.188
10	C	-0.294
11	H	0.134
12	H	0.148
13	H	0.164
14	C	-0.306

	x	y	z	Total
	1.651	2.978	-1.213	3.614
CHELPG
AIM
ESP

	x	y	z
x	9.243	0.027	-0.040
y	0.027	8.235	-0.271
z	-0.040	-0.271	5.032

<r²>	169.154
(<r²>)^1/2	13.006

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

using model chemistry: BLYP/6-31G*

States and conformations

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