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	hartrees
Energy at 0K	-303.773231
Energy at 298.15K	-303.783326
Nuclear repulsion energy	250.730846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3563	3536	15.81
2	A	3449	3423	7.53
3	A	3098	3074	1.73
4	A	3057	3034	11.54
5	A	2995	2972	28.33
6	A	2979	2956	55.53
7	A	2937	2915	78.83
8	A	2908	2886	75.04
9	A	1714	1701	301.07
10	A	1587	1575	99.24
11	A	1508	1497	22.36
12	A	1482	1471	13.23
13	A	1474	1462	15.04
14	A	1473	1461	9.13
15	A	1443	1432	44.29
16	A	1400	1390	7.14
17	A	1378	1368	165.74
18	A	1244	1235	56.84
19	A	1232	1222	27.71
20	A	1141	1133	2.57
21	A	1102	1094	3.43
22	A	1069	1060	75.27
23	A	1054	1046	16.78
24	A	991	983	33.33
25	A	744	738	63.60
26	A	736	730	24.48
27	A	597	592	130.68
28	A	570	566	35.78
29	A	496	492	8.36
30	A	424	421	22.84
31	A	379	376	13.92
32	A	308	306	9.12
33	A	187	185	4.86
34	A	150	149	1.12
35	A	132	131	4.67
36	A	83	82	1.71

Atom	x (Å)	y (Å)	z (Å)
H1	2.563	0.665	0.154
O2	1.258	-1.348	-0.079
C3	0.772	-0.209	-0.015
N4	-0.599	0.041	-0.020
H5	1.309	1.706	0.616
N6	1.594	0.943	0.001
H7	-2.211	-1.119	-0.775
H8	-2.125	-1.030	1.011
H9	-0.925	-2.012	0.102
C10	-1.521	-1.093	0.087
H11	-0.502	2.071	-0.593
H12	-1.421	1.792	0.927
H13	-2.123	1.346	-0.650
C14	-1.183	1.382	-0.076

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4100	1.9998	3.2276	1.6932	1.0195	5.1797	5.0579	4.3969	4.4462	3.4533	4.2112	4.8026	3.8203
O2	2.4100		1.2396	2.3196	3.1320	2.3166	3.5452	3.5684	2.2887	2.7952	3.8794	4.2481	4.3605	3.6617
C3	1.9998	1.2396		1.3937	2.0865	1.4153	3.2096	3.1809	2.4786	2.4592	2.6753	3.1144	3.3472	2.5211
N4	3.2276	2.3196	1.3937		2.6114	2.3713	2.1238	2.1305	2.0824	1.4650	2.1119	2.1539	2.1030	1.4635
H5	1.6932	3.1320	2.0865	2.6114		1.0203	4.7225	4.4086	4.3680	4.0152	2.2081	2.7491	3.6761	2.6067
N6	1.0195	2.3166	1.4153	2.3713	1.0203		4.3960	4.3293	3.8841	3.7218	2.4528	3.2657	3.7947	2.8121
H7	5.1797	3.5452	3.2096	2.1238	4.7225	4.3960		1.7905	1.7948	1.1047	3.6233	3.4631	2.4693	2.7923
H8	5.0579	3.5684	3.1809	2.1305	4.4086	4.3293	1.7905		1.7979	1.1058	3.8507	2.9103	2.8996	2.8083
H9	4.3969	2.2887	2.4786	2.0824	4.3680	3.8841	1.7948	1.7979		1.0957	4.1638	3.9245	3.6442	3.4085
C10	4.4462	2.7952	2.4592	1.4650	4.0152	3.7218	1.1047	1.1058	1.0957		3.3932	3.0066	2.6184	2.5030
H11	3.4533	3.8794	2.6753	2.1119	2.2081	2.4528	3.6233	3.8507	4.1638	3.3932		1.7978	1.7770	1.0987
H12	4.2112	4.2481	3.1144	2.1539	2.7491	3.2657	3.4631	2.9103	3.9245	3.0066	1.7978		1.7830	1.1090
H13	4.8026	4.3605	3.3472	2.1030	3.6761	3.7947	2.4693	2.8996	3.6442	2.6184	1.7770	1.7830		1.1024
C14	3.8203	3.6617	2.5211	1.4635	2.6067	2.8121	2.7923	2.8083	3.4085	2.5030	1.0987	1.1090	1.1024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.367	H1	N6	H5	112.210
O2	C3	N4	123.385	O2	C3	N6	121.374
C3	N4	C10	118.662	C3	N4	C14	123.839
C3	N6	H5	116.959	N4	C3	N6	115.165
N4	C10	H7	110.697	N4	C10	H8	111.171
N4	C10	H9	107.950	N4	C14	H11	110.215
N4	C14	H12	112.985	N4	C14	H13	109.281
H7	C10	H8	108.192	H7	C10	H9	109.304
H8	C10	H9	109.508	C10	N4	C14	117.455
H11	C14	H12	109.044	H11	C14	H13	107.675
H12	C14	H13	107.470

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

using model chemistry: BLYP/6-31G**

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	0.256
2	O	-0.501
3	C	0.631
4	N	-0.375
5	H	0.238
6	N	-0.583
7	H	0.096
8	H	0.093
9	H	0.145
10	C	-0.158
11	H	0.122
12	H	0.096
13	H	0.107
14	C	-0.168

	x	y	z	Total
	-1.645	3.002	1.168	3.617
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	169.066
(<r²>)^1/2	13.003

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

using model chemistry: BLYP/6-31G**

States and conformations

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