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	hartrees
Energy at 0K	-302.070422
Energy at 298.15K	-302.080773
Nuclear repulsion energy	253.179429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3562	36.61
2	A	3596	3440	32.76
3	A	3178	3041	0.40
4	A	3139	3003	13.13
5	A	3092	2958	39.32
6	A	3085	2952	35.59
7	A	3039	2908	59.88
8	A	3010	2880	57.11
9	A	1756	1680	286.99
10	A	1680	1608	114.48
11	A	1586	1517	55.37
12	A	1575	1506	8.74
13	A	1565	1497	10.46
14	A	1559	1492	17.67
15	A	1510	1445	91.32
16	A	1458	1395	42.65
17	A	1429	1367	184.10
18	A	1303	1247	13.01
19	A	1290	1234	78.54
20	A	1181	1130	3.36
21	A	1141	1092	3.62
22	A	1106	1058	14.14
23	A	1087	1040	26.49
24	A	1034	989	48.50
25	A	792	758	72.73
26	A	765	732	2.92
27	A	604	577	5.73
28	A	552	528	89.99
29	A	518	495	47.12
30	A	450	431	91.17
31	A	383	367	46.89
32	A	317	303	46.29
33	A	197	189	5.83
34	A	181	173	1.40
35	A	149	142	1.05
36	A	91	87	11.96

Atom	x (Å)	y (Å)	z (Å)
H1	2.552	0.759	0.023
O2	1.235	-1.355	-0.071
C3	0.763	-0.208	-0.010
N4	-0.595	0.046	-0.004
H5	1.214	1.828	0.305
N6	1.556	0.915	0.049
H7	-2.190	-1.099	-0.781
H8	-2.074	-1.097	1.000
H9	-0.865	-1.985	0.027
C10	-1.497	-1.097	0.068
H11	-1.152	1.897	0.910
H12	-2.186	1.322	-0.409
H13	-0.598	1.998	-0.787
C14	-1.151	1.388	-0.065

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4929	2.0342	3.2274	1.7355	1.0089	5.1566	5.0795	4.3833	4.4548	3.9754	4.7908	3.4801	3.7573
O2	2.4929		1.2417	2.3056	3.2055	2.2963	3.5073	3.4873	2.1951	2.7476	4.1517	4.3570	3.8874	3.6354
C3	2.0342	1.2417		1.3818	2.1093	1.3763	3.1797	3.1398	2.4108	2.4300	2.9910	3.3461	2.7056	2.4928
N4	3.2274	2.3056	1.3818		2.5587	2.3208	2.1115	2.1213	2.0490	1.4577	2.1384	2.0794	2.1031	1.4539
H5	1.7355	3.2055	2.1093	2.5587		1.0076	4.6194	4.4557	4.3526	3.9958	2.4437	3.5108	2.1219	2.4342
N6	1.0089	2.2963	1.3763	2.3208	1.0076		4.3335	4.2579	3.7785	3.6567	3.0065	3.7913	2.5507	2.7501
H7	5.1566	3.5073	3.1797	2.1115	4.6194	4.3335		1.7844	1.7867	1.0956	3.5935	2.4497	3.4823	2.7888
H8	5.0795	3.4873	3.1398	2.1213	4.4557	4.2579	1.7844		1.7879	1.0963	3.1339	2.8018	3.8662	2.8563
H9	4.3833	2.1951	2.4108	2.0490	4.3526	3.7785	1.7867	1.7879		1.0904	3.9918	3.5878	4.0739	3.3863
C10	4.4548	2.7476	2.4300	1.4577	3.9958	3.6567	1.0956	1.0963	1.0904		3.1296	2.5604	3.3343	2.5125
H11	3.9754	4.1517	2.9910	2.1384	2.4437	3.0065	3.5935	3.1339	3.9918	3.1296		1.7717	1.7878	1.0996
H12	4.7908	4.3570	3.3461	2.0794	3.5108	3.7913	2.4497	2.8018	3.5878	2.5604	1.7717		1.7665	1.0924
H13	3.4801	3.8874	2.7056	2.1031	2.1219	2.5507	3.4823	3.8662	4.0739	3.3343	1.7878	1.7665		1.0953
C14	3.7573	3.6354	2.4928	1.4539	2.4342	2.7501	2.7888	2.8563	3.3863	2.5125	1.0996	1.0924	1.0953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	116.191	H1	N6	H5	118.775
O2	C3	N4	122.913	O2	C3	N6	122.501
C3	N4	C10	117.670	C3	N4	C14	123.039
C3	N6	H5	123.719	N4	C3	N6	114.585
N4	C10	H7	110.782	N4	C10	H8	111.532
N4	C10	H9	106.159	N4	C14	H11	113.009
N4	C14	H12	108.660	N4	C14	H13	110.387
H7	C10	H8	108.996	H7	C10	H9	109.636
H8	C10	H9	109.695	C10	N4	C14	119.291
H11	C14	H12	107.846	H11	C14	H13	109.078
H12	C14	H13	107.693

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

using model chemistry: B1B95/3-21G

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
1	H	0.334
2	O	-0.544
3	C	0.899
4	N	-0.682
5	H	0.323
6	N	-0.811
7	H	0.203
8	H	0.203
9	H	0.261
10	C	-0.419
11	H	0.207
12	H	0.231
13	H	0.217
14	C	-0.423

	x	y	z	Total
	-1.445	3.769	0.463	4.063
CHELPG
AIM
ESP

	x	y	z
x	7.779	0.049	-0.098
y	0.049	7.215	0.179
z	-0.098	0.179	4.078

<r²>	165.406
(<r²>)^1/2	12.861

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

using model chemistry: B1B95/3-21G

States and conformations

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