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	hartrees
Energy at 0K	-303.814773
Energy at 298.15K	-303.824905
HF Energy	-303.814773
Nuclear repulsion energy	253.002305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3567	21.32
2	A	3506	3457	10.39
3	A	3108	3065	2.24
4	A	3063	3020	14.92
5	A	3019	2976	27.60
6	A	2996	2954	53.52
7	A	2949	2908	83.85
8	A	2920	2879	79.68
9	A	1713	1689	367.44
10	A	1597	1575	110.48
11	A	1507	1486	51.03
12	A	1480	1459	10.26
13	A	1470	1450	7.21
14	A	1469	1448	13.95
15	A	1445	1424	43.47
16	A	1400	1380	11.15
17	A	1383	1364	164.00
18	A	1256	1238	38.10
19	A	1241	1224	38.13
20	A	1146	1130	2.50
21	A	1106	1090	3.06
22	A	1075	1060	67.23
23	A	1057	1042	15.78
24	A	996	982	31.23
25	A	753	743	25.71
26	A	746	736	17.33
27	A	589	581	45.79
28	A	563	555	134.26
29	A	505	498	7.45
30	A	429	423	25.69
31	A	383	378	10.86
32	A	305	301	9.13
33	A	185	183	3.17
34	A	147	145	1.56
35	A	118	117	4.15
36	A	88	87	1.70

Atom	x (Å)	y (Å)	z (Å)
H1	2.540	0.671	0.180
O2	1.245	-1.342	-0.062
C3	0.764	-0.214	-0.018
N4	-0.592	0.038	-0.046
H5	1.270	1.722	0.533
N6	1.580	0.925	-0.004
H7	-2.225	-1.082	-0.758
H8	-2.091	-1.006	1.016
H9	-0.945	-2.001	0.076
C10	-1.518	-1.075	0.081
H11	-1.274	1.799	0.951
H12	-2.149	1.336	-0.518
H13	-0.540	2.047	-0.660
C14	-1.157	1.374	-0.059

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4064	1.9940	3.2036	1.6862	1.0099	5.1638	4.9962	4.3928	4.4194	4.0519	4.7878	3.4764	3.7714
O2	2.4064		1.2274	2.2976	3.1216	2.2924	3.5489	3.5219	2.2909	2.7797	4.1524	4.3475	3.8766	3.6263
C3	1.9940	1.2274		1.3798	2.0749	1.4006	3.2000	3.1387	2.4747	2.4418	3.0245	3.3378	2.6875	2.4932
N4	3.2036	2.2976	1.3798		2.5761	2.3467	2.1045	2.1130	2.0725	1.4534	2.1359	2.0818	2.1014	1.4512
H5	1.6862	3.1216	2.0749	2.5761		1.0100	4.6627	4.3558	4.3557	3.9749	2.5792	3.5975	2.1911	2.5219
N6	1.0099	2.2924	1.4006	2.3467	1.0100		4.3677	4.2718	3.8654	3.6888	3.1345	3.7873	2.4868	2.7747
H7	5.1638	3.5489	3.2000	2.1045	4.6627	4.3677		1.7811	1.7834	1.0972	3.4824	2.4305	3.5549	2.7681
H8	4.9962	3.5219	3.1387	2.1130	4.3558	4.2718	1.7811		1.7849	1.0990	2.9230	2.8008	3.8127	2.7742
H9	4.3928	2.2909	2.4747	2.0725	4.3557	3.8654	1.7834	1.7849		1.0889	3.9134	3.5967	4.1338	3.3845
C10	4.4194	2.7797	2.4418	1.4534	3.9749	3.6888	1.0972	1.0990	1.0889		3.0132	2.5631	3.3543	2.4798
H11	4.0519	4.1524	3.0245	2.1359	2.5792	3.1345	3.4824	2.9230	3.9134	3.0132		1.7722	1.7876	1.1021
H12	4.7878	4.3475	3.3378	2.0818	3.5975	3.7873	2.4305	2.8008	3.5967	2.5631	1.7722		1.7651	1.0941
H13	3.4764	3.8766	2.6875	2.1014	2.1911	2.4868	3.5549	3.8127	4.1338	3.3543	1.7876	1.7651		1.0928
C14	3.7714	3.6263	2.4932	1.4512	2.5219	2.7747	2.7681	2.7742	3.3845	2.4798	1.1021	1.0941	1.0928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.248	H1	N6	H5	112.567
O2	C3	N4	123.283	O2	C3	N6	121.078
C3	N4	C10	119.010	C3	N4	C14	123.880
C3	N6	H5	117.228	N4	C3	N6	115.633
N4	C10	H7	110.594	N4	C10	H8	110.875
N4	C10	H9	108.378	N4	C14	H11	112.685
N4	C14	H12	109.044	N4	C14	H13	110.546
H7	C10	H8	108.319	H7	C10	H9	109.203
H8	C10	H9	109.450	C10	N4	C14	117.058
H11	C14	H12	107.581	H11	C14	H13	109.158
H12	C14	H13	107.661

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

using model chemistry: B97D3/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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Number	Element	Mulliken
1	H	0.146
2	O	-0.370
3	C	0.216
4	N	-0.030
5	H	0.135
6	N	-0.243
7	H	0.076
8	H	0.072
9	H	0.117
10	C	-0.184
11	H	0.069
12	H	0.085
13	H	0.089
14	C	-0.179

	x	y	z	Total
	-1.782	3.214	1.024	3.815
CHELPG
AIM
ESP

	x	y	z
x	10.146	0.020	-0.025
y	0.020	9.328	0.171
z	-0.025	0.171	6.223

<r²>	166.665
(<r²>)^1/2	12.910

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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