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	hartrees
Energy at 0K	-56.055935
Energy at 298.15K	-56.066464
Nuclear repulsion energy	141.035274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4040	3642	53.60
2	A	3881	3499	55.83
3	A	3383	3050	5.61
4	A	3332	3004	46.20
5	A	3277	2954	113.75
6	A	3268	2946	67.43
7	A	3212	2895	80.02
8	A	3200	2884	88.52
9	A	1817	1638	260.10
10	A	1745	1573	503.05
11	A	1666	1502	107.91
12	A	1656	1493	6.12
13	A	1652	1489	1.61
14	A	1645	1482	17.62
15	A	1625	1465	77.15
16	A	1589	1433	21.93
17	A	1569	1414	276.66
18	A	1402	1263	54.15
19	A	1386	1249	35.37
20	A	1278	1152	5.88
21	A	1233	1112	0.03
22	A	1196	1078	20.93
23	A	1174	1059	47.71
24	A	1115	1005	23.20
25	A	843	760	130.89
26	A	806	726	0.38
27	A	629	567	12.09
28	A	609	549	212.39
29	A	547	493	14.55
30	A	467	421	155.89
31	A	424	382	4.45
32	A	331	299	11.43
33	A	248	223	4.19
34	A	164	147	0.16
35	A	93	84	1.84
36	A	89	80	14.06

Atom	x (Å)	y (Å)	z (Å)
H1	2.623	0.548	-0.000
O2	1.185	-1.440	0.001
C3	0.763	-0.259	0.000
N4	-0.576	0.056	-0.000
H5	1.399	1.752	-0.003
N6	1.657	0.792	-0.001
H7	-2.205	-0.958	-0.885
H8	-2.198	-0.967	0.889
H9	-1.059	-1.981	-0.008
C10	-1.571	-1.029	-0.001
H11	-0.729	1.985	0.887
H12	-2.142	1.429	0.006
H13	-0.737	1.984	-0.889
C14	-1.058	1.441	0.001

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4534	2.0275	3.2368	1.7168	0.9964	5.1344	5.1310	4.4667	4.4812	3.7541	4.8463	3.7608	3.7882
O2	2.4534		1.2535	2.3101	3.1987	2.2818	3.5369	3.5292	2.3082	2.7866	4.0223	4.3933	4.0258	3.6510
C3	2.0275	1.2535		1.3757	2.1092	1.3805	3.1753	3.1715	2.5066	2.4583	2.8375	3.3606	2.8414	2.4917
N4	3.2368	2.3101	1.3757		2.6035	2.3517	2.1129	2.1134	2.0926	1.4724	2.1292	2.0834	2.1294	1.4669
H5	1.7168	3.1987	2.1092	2.6035		0.9932	4.5947	4.5962	4.4691	4.0693	2.3190	3.5563	2.3246	2.4771
N6	0.9964	2.2818	1.3805	2.3517	0.9932		4.3318	4.3300	3.8818	3.7072	2.8118	3.8526	2.8181	2.7919
H7	5.1344	3.5369	3.1753	2.1129	4.5947	4.3318		1.7741	1.7690	1.0901	3.7387	2.5485	3.2876	2.8024
H8	5.1310	3.5292	3.1715	2.1134	4.5962	4.3300	1.7741		1.7688	1.0902	3.2970	2.5544	3.7420	2.8081
H9	4.4667	2.3082	2.5066	2.0926	4.4691	3.8818	1.7690	1.7688		1.0804	4.0786	3.5777	4.0739	3.4215
C10	4.4812	2.7866	2.4583	1.4724	4.0693	3.7072	1.0901	1.0902	1.0804		3.2533	2.5240	3.2503	2.5230
H11	3.7541	4.0223	2.8375	2.1292	2.3190	2.8118	3.7387	3.2970	4.0786	3.2533		1.7555	1.7760	1.0907
H12	4.8463	4.3933	3.3606	2.0834	3.5563	3.8526	2.5485	2.5544	3.5777	2.5240	1.7555		1.7558	1.0842
H13	3.7608	4.0258	2.8414	2.1294	2.3246	2.8181	3.2876	3.7420	4.0739	3.2503	1.7760	1.7558		1.0907
C14	3.7882	3.6510	2.4917	1.4669	2.4771	2.7919	2.8024	2.8081	3.4215	2.5230	1.0907	1.0842	1.0907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	116.145	H1	N6	H5	119.277
O2	C3	N4	122.891	O2	C3	N6	119.977
C3	N4	C10	119.302	C3	N4	C14	122.427
C3	N6	H5	124.578	N4	C3	N6	117.133
N4	C10	H7	110.190	N4	C10	H8	110.231
N4	C10	H9	109.158	N4	C14	H11	111.871
N4	C14	H12	108.576	N4	C14	H13	111.889
H7	C10	H8	108.918	H7	C10	H9	109.172
H8	C10	H9	109.150	C10	N4	C14	118.270
H11	C14	H12	107.649	H11	C14	H13	109.012
H12	C14	H13	107.667

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

using model chemistry: HF/CEP-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	0.383
2	O	-0.344
3	C	-0.014
4	N	-0.169
5	H	0.363
6	N	-0.580
7	H	0.138
8	H	0.138
9	H	0.231
10	C	-0.294
11	H	0.147
12	H	0.179
13	H	0.147
14	C	-0.326

	x	y	z	Total
	-2.226	4.980	-0.006	5.454
CHELPG
AIM
ESP

	x	y	z
x	7.129	-0.191	0.000
y	-0.191	7.000	-0.003
z	0.000	-0.003	4.562

<r²>	139.488
(<r²>)^1/2	11.811

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

using model chemistry: HF/CEP-31G

States and conformations

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