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	hartrees
Energy at 0K	-303.820520
Energy at 298.15K	-303.830576
HF Energy	-303.820520
Nuclear repulsion energy	252.973396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3623	3567	25.81
2	A	3511	3457	11.35
3	A	3108	3061	2.13
4	A	3062	3015	14.53
5	A	3021	2975	24.99
6	A	2998	2953	50.26
7	A	2951	2906	85.04
8	A	2923	2878	79.17
9	A	1696	1670	409.22
10	A	1596	1572	121.12
11	A	1504	1481	55.88
12	A	1479	1456	9.65
13	A	1470	1448	6.24
14	A	1467	1445	14.26
15	A	1444	1422	42.54
16	A	1399	1377	11.89
17	A	1382	1360	173.91
18	A	1253	1234	33.54
19	A	1238	1219	42.58
20	A	1143	1126	2.59
21	A	1104	1087	2.28
22	A	1071	1055	62.39
23	A	1054	1038	21.06
24	A	995	979	30.60
25	A	751	740	9.22
26	A	743	731	22.02
27	A	585	576	17.65
28	A	543	535	156.01
29	A	505	497	5.82
30	A	419	413	29.04
31	A	381	375	12.74
32	A	301	297	9.33
33	A	184	182	2.96
34	A	142	140	1.59
35	A	105	104	4.16
36	A	83	81	1.61

Atom	x (Å)	y (Å)	z (Å)
H1	2.543	0.674	0.182
O2	1.243	-1.345	-0.055
C3	0.763	-0.214	-0.018
N4	-0.592	0.038	-0.050
H5	1.268	1.739	0.492
N6	1.582	0.920	-0.006
H7	-2.230	-1.073	-0.761
H8	-2.089	-1.006	1.014
H9	-0.953	-2.002	0.066
C10	-1.521	-1.074	0.076
H11	-1.221	1.812	0.958
H12	-2.166	1.334	-0.463
H13	-0.566	2.043	-0.689
C14	-1.154	1.377	-0.052

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4134	1.9993	3.2072	1.6904	1.0095	5.1701	4.9971	4.4046	4.4255	4.0084	4.7987	3.5069	3.7704
O2	2.4134		1.2288	2.2976	3.1323	2.2905	3.5548	3.5155	2.2953	2.7804	4.1309	4.3550	3.8925	3.6270
C3	1.9993	1.2288		1.3787	2.0808	1.3987	3.2020	3.1346	2.4799	2.4425	2.9993	3.3432	2.7042	2.4918
N4	3.2072	2.2976	1.3787		2.5776	2.3463	2.1036	2.1125	2.0753	1.4544	2.1351	2.0807	2.1046	1.4524
H5	1.6904	3.1323	2.0808	2.5776		1.0094	4.6598	4.3670	4.3715	3.9825	2.5331	3.5867	2.2022	2.5078
N6	1.0095	2.2905	1.3987	2.3463	1.0094		4.3678	4.2690	3.8692	3.6892	3.0960	3.7986	2.5185	2.7743
H7	5.1701	3.5548	3.2020	2.1036	4.6598	4.3678		1.7817	1.7829	1.0969	3.5065	2.4267	3.5334	2.7688
H8	4.9971	3.5155	3.1346	2.1125	4.3670	4.2690	1.7817		1.7841	1.0988	2.9485	2.7683	3.8099	2.7731
H9	4.4046	2.2953	2.4799	2.0753	4.3715	3.8692	1.7829	1.7841		1.0888	3.9263	3.5896	4.1333	3.3877
C10	4.4255	2.7804	2.4425	1.4544	3.9825	3.6892	1.0969	1.0988	1.0888		3.0321	2.5504	3.3482	2.4816
H11	4.0084	4.1309	2.9993	2.1351	2.5331	3.0960	3.5065	2.9485	3.9263	3.0321		1.7720	1.7883	1.1018
H12	4.7987	4.3550	3.3432	2.0807	3.5867	3.7986	2.4267	2.7683	3.5896	2.5504	1.7720		1.7645	1.0933
H13	3.5069	3.8925	2.7042	2.1046	2.2022	2.5185	3.5334	3.8099	4.1333	3.3482	1.7883	1.7645		1.0931
C14	3.7704	3.6270	2.4918	1.4524	2.5078	2.7743	2.7688	2.7731	3.3877	2.4816	1.1018	1.0933	1.0931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.212	H1	N6	H5	113.711
O2	C3	N4	123.453	O2	C3	N6	121.178
C3	N4	C10	119.088	C3	N4	C14	123.299
C3	N6	H5	118.657	N4	C3	N6	115.295
N4	C10	H7	110.302	N4	C10	H8	110.903
N4	C10	H9	108.527	N4	C14	H11	112.705
N4	C14	H12	108.818	N4	C14	H13	110.745
H7	C10	H8	108.479	H7	C10	H9	109.320
H8	C10	H9	109.290	C10	N4	C14	117.240
H11	C14	H12	107.654	H11	C14	H13	109.128
H12	C14	H13	107.616

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

using model chemistry: B97D3/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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Number	Element	Mulliken
1	H	0.011
2	O	-0.702
3	C	0.306
4	N	0.396
5	H	0.061
6	N	-0.083
7	H	0.195
8	H	0.168
9	H	0.235
10	C	-0.569
11	H	0.161
12	H	0.128
13	H	0.215
14	C	-0.522

	x	y	z	Total
	-1.972	3.315	0.989	3.982
CHELPG
AIM
ESP

	x	y	z
x	11.063	0.013	-0.061
y	0.013	10.270	0.104
z	-0.061	0.104	7.128

<r²>	167.018
(<r²>)^1/2	12.924

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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