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	hartrees
Energy at 0K	-304.007206
Energy at 298.15K	-304.017386
HF Energy	-304.007206
Nuclear repulsion energy	253.802448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3567	32.76
2	A	3579	3462	23.00
3	A	3155	3053	1.35
4	A	3107	3006	12.49
5	A	3070	2970	20.62
6	A	3046	2947	42.69
7	A	3003	2906	71.47
8	A	2978	2881	66.44
9	A	1732	1676	453.72
10	A	1628	1575	140.01
11	A	1537	1487	68.22
12	A	1511	1462	10.94
13	A	1503	1454	7.21
14	A	1500	1452	15.17
15	A	1479	1431	45.10
16	A	1437	1390	8.42
17	A	1422	1375	181.60
18	A	1288	1246	39.46
19	A	1267	1226	41.75
20	A	1170	1132	2.98
21	A	1129	1092	1.93
22	A	1096	1060	49.53
23	A	1080	1045	25.13
24	A	1023	990	32.51
25	A	772	747	29.25
26	A	766	741	2.76
27	A	598	578	9.39
28	A	535	517	152.67
29	A	515	499	4.23
30	A	425	411	41.24
31	A	390	377	22.24
32	A	315	305	12.66
33	A	190	184	3.27
34	A	142	138	2.17
35	A	114	110	3.34
36	A	89	86	2.43

Atom	x (Å)	y (Å)	z (Å)
H1	2.547	0.648	0.154
O2	1.231	-1.338	-0.072
C3	0.760	-0.212	-0.016
N4	-0.589	0.042	-0.020
H5	1.299	1.701	0.559
N6	1.587	0.913	0.001
H7	-2.189	-1.088	-0.780
H8	-2.122	-0.990	0.988
H9	-0.949	-1.995	0.109
C10	-1.516	-1.070	0.081
H11	-1.349	1.789	0.928
H12	-2.105	1.339	-0.602
H13	-0.500	2.053	-0.613
C14	-1.155	1.376	-0.070

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3942	1.9908	3.1988	1.6822	1.0081	5.1301	5.0180	4.3831	4.4122	4.1331	4.7640	3.4420	3.7792
O2	2.3942		1.2223	2.2848	3.1048	2.2806	3.5007	3.5337	2.2835	2.7638	4.1759	4.3101	3.8457	3.6135
C3	1.9908	1.2223		1.3726	2.0684	1.3960	3.1696	3.1494	2.4728	2.4342	3.0567	3.3103	2.6596	2.4878
N4	3.1988	2.2848	1.3726		2.5784	2.3433	2.1015	2.1052	2.0726	1.4517	2.1277	2.0782	2.0983	1.4494
H5	1.6822	3.1048	2.0684	2.5784		1.0074	4.6620	4.3730	4.3486	3.9785	2.6752	3.6148	2.1756	2.5532
N6	1.0081	2.2806	1.3960	2.3433	1.0074		4.3438	4.2836	3.8595	3.6831	3.2011	3.7652	2.4557	2.7809
H7	5.1301	3.5007	3.1696	2.1015	4.6620	4.3438		1.7724	1.7744	1.0931	3.4498	2.4350	3.5704	2.7654
H8	5.0180	3.5337	3.1494	2.1052	4.3730	4.2836	1.7724		1.7773	1.0939	2.8846	2.8192	3.8017	2.7659
H9	4.3831	2.2835	2.4728	2.0726	4.3486	3.8595	1.7744	1.7773		1.0846	3.8918	3.5990	4.1360	3.3815
C10	4.4122	2.7638	2.4342	1.4517	3.9785	3.6831	1.0931	1.0939	1.0846		2.9866	2.5722	3.3569	2.4773
H11	4.1331	4.1759	3.0567	2.1277	2.6752	3.2011	3.4498	2.8846	3.8918	2.9866		1.7645	1.7794	1.0968
H12	4.7640	4.3101	3.3103	2.0782	3.6148	3.7652	2.4350	2.8192	3.5990	2.5722	1.7645		1.7574	1.0904
H13	3.4420	3.8457	2.6596	2.0983	2.1756	2.4557	3.5704	3.8017	4.1360	3.3569	1.7794	1.7574		1.0876
C14	3.7792	3.6135	2.4878	1.4494	2.5532	2.7809	2.7654	2.7659	3.3815	2.4773	1.0968	1.0904	1.0876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.769	H1	N6	H5	113.151
O2	C3	N4	123.298	O2	C3	N6	121.008
C3	N4	C10	119.037	C3	N4	C14	123.645
C3	N6	H5	117.865	N4	C3	N6	115.643
N4	C10	H7	110.546	N4	C10	H8	110.794
N4	C10	H9	108.740	N4	C14	H11	112.628
N4	C14	H12	109.002	N4	C14	H13	110.792
H7	C10	H8	108.271	H7	C10	H9	109.131
H8	C10	H9	109.334	C10	N4	C14	117.277
H11	C14	H12	107.558	H11	C14	H13	109.093
H12	C14	H13	107.591

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

using model chemistry: B3LYP/aug-cc-pVTZ

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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