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	hartrees
Energy at 0K	-303.722510
Energy at 298.15K	-303.732558
HF Energy	-303.722510
Nuclear repulsion energy	252.074336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3638	3576	27.78
2	A	3516	3456	12.04
3	A	3126	3073	1.81
4	A	3082	3029	14.87
5	A	3036	2984	27.61
6	A	3016	2964	55.75
7	A	2960	2909	92.81
8	A	2932	2881	85.07
9	A	1710	1681	430.46
10	A	1604	1576	137.28
11	A	1510	1484	64.66
12	A	1484	1458	12.37
13	A	1476	1450	8.22
14	A	1472	1447	15.99
15	A	1449	1424	47.23
16	A	1403	1379	11.85
17	A	1392	1368	174.14
18	A	1260	1238	29.74
19	A	1241	1219	53.84
20	A	1144	1125	3.23
21	A	1105	1086	3.30
22	A	1075	1056	59.48
23	A	1058	1040	21.41
24	A	1002	985	30.34
25	A	752	740	1.83
26	A	738	725	42.16
27	A	584	574	31.69
28	A	560	550	165.36
29	A	504	496	7.88
30	A	424	417	24.91
31	A	380	373	15.35
32	A	300	294	9.30
33	A	187	184	3.78
34	A	151	148	1.40
35	A	111	109	6.35
36	A	73	71	0.66

Atom	x (Å)	y (Å)	z (Å)
H1	2.549	0.677	0.175
O2	1.253	-1.347	-0.063
C3	0.765	-0.210	-0.019
N4	-0.595	0.037	-0.057
H5	1.276	1.737	0.531
N6	1.583	0.929	0.002
H7	-2.236	-1.091	-0.751
H8	-2.085	-1.005	1.030
H9	-0.946	-2.010	0.080
C10	-1.521	-1.081	0.085
H11	-1.255	1.803	0.958
H12	-2.170	1.334	-0.494
H13	-0.561	2.050	-0.681
C14	-1.164	1.377	-0.059

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4149	2.0018	3.2170	1.6943	1.0134	5.1852	5.0030	4.4094	4.4344	4.0435	4.8113	3.5060	3.7855
O2	2.4149		1.2372	2.3083	3.1404	2.3006	3.5657	3.5287	2.3012	2.7907	4.1535	4.3690	3.9002	3.6416
C3	2.0018	1.2372		1.3830	2.0870	1.4029	3.2128	3.1390	2.4852	2.4487	3.0148	3.3506	2.7033	2.4988
N4	3.2170	2.3083	1.3830		2.5958	2.3546	2.1090	2.1180	2.0809	1.4584	2.1416	2.0868	2.1082	1.4565
H5	1.6943	3.1404	2.0870	2.5958		1.0135	4.6883	4.3658	4.3793	3.9953	2.5674	3.6176	2.2229	2.5355
N6	1.0134	2.3006	1.4029	2.3546	1.0135		4.3861	4.2721	3.8782	3.6991	3.1197	3.8072	2.5139	2.7838
H7	5.1852	3.5657	3.2128	2.1090	4.6883	4.3861		1.7893	1.7888	1.1005	3.5015	2.4400	3.5611	2.7795
H8	5.0030	3.5287	3.1390	2.1180	4.3658	4.2721	1.7893		1.7913	1.1026	2.9287	2.7928	3.8184	2.7764
H9	4.4094	2.3012	2.4852	2.0809	4.3793	3.8782	1.7888	1.7913		1.0926	3.9247	3.6069	4.1487	3.3972
C10	4.4344	2.7907	2.4487	1.4584	3.9953	3.6991	1.1005	1.1026	1.0926		3.0248	2.5669	3.3634	2.4884
H11	4.0435	4.1535	3.0148	2.1416	2.5674	3.1197	3.5015	2.9287	3.9247	3.0248		1.7790	1.7964	1.1057
H12	4.8113	4.3690	3.3506	2.0868	3.6176	3.8072	2.4400	2.7928	3.6069	2.5669	1.7790		1.7708	1.0973
H13	3.5060	3.9002	2.7033	2.1082	2.2229	2.5139	3.5611	3.8184	4.1487	3.3634	1.7964	1.7708		1.0966
C14	3.7855	3.6416	2.4988	1.4565	2.5355	2.7838	2.7795	2.7764	3.3972	2.4884	1.1057	1.0973	1.0966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.490	H1	N6	H5	112.566
O2	C3	N4	123.196	O2	C3	N6	120.898
C3	N4	C10	119.013	C3	N4	C14	123.975
C3	N6	H5	117.691	N4	C3	N6	115.899
N4	C10	H7	110.498	N4	C10	H8	110.734
N4	C10	H9	108.628	N4	C14	H11	112.561
N4	C14	H12	108.988	N4	C14	H13	110.669
H7	C10	H8	108.424	H7	C10	H9	109.124
H8	C10	H9	109.410	C10	N4	C14	116.955
H11	C14	H12	107.615	H11	C14	H13	109.311
H12	C14	H13	107.524

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

using model chemistry: B97D3/6-31+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	0.318
2	O	-0.527
3	C	0.465
4	N	-0.162
5	H	0.284
6	N	-0.594
7	H	0.146
8	H	0.146
9	H	0.200
10	C	-0.346
11	H	0.154
12	H	0.157
13	H	0.172
14	C	-0.412

	x	y	z	Total
	-2.095	3.423	1.129	4.169
CHELPG
AIM
ESP

	x	y	z
x	10.308	-0.132	-0.091
y	-0.132	9.495	0.123
z	-0.091	0.123	6.566

<r²>	168.029
(<r²>)^1/2	12.963

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

using model chemistry: B97D3/6-31+G**

States and conformations

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