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	hartrees
Energy at 0K	-303.905544
Energy at 298.15K	-303.915838
Nuclear repulsion energy	253.603665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3683	3554	23.76
2	A	3574	3449	19.45
3	A	3169	3058	1.09
4	A	3122	3013	11.00
5	A	3069	2962	22.49
6	A	3051	2944	45.03
7	A	3006	2901	67.97
8	A	2981	2877	63.29
9	A	1783	1721	357.58
10	A	1627	1570	115.02
11	A	1543	1489	54.50
12	A	1510	1457	12.44
13	A	1500	1448	15.56
14	A	1498	1446	9.31
15	A	1479	1427	53.04
16	A	1433	1383	8.12
17	A	1427	1377	150.21
18	A	1300	1255	39.67
19	A	1274	1229	42.63
20	A	1176	1135	3.00
21	A	1135	1096	2.92
22	A	1104	1066	59.42
23	A	1088	1050	11.32
24	A	1031	994	33.66
25	A	782	754	55.75
26	A	769	742	2.65
27	A	606	585	59.67
28	A	584	563	118.49
29	A	513	495	8.01
30	A	442	427	28.72
31	A	392	379	11.71
32	A	320	309	10.08
33	A	192	185	4.28
34	A	151	145	1.24
35	A	136	131	3.66
36	A	97	94	2.34

Atom	x (Å)	y (Å)	z (Å)
H1	2.542	0.657	0.161
O2	1.235	-1.336	-0.072
C3	0.763	-0.212	-0.016
N4	-0.590	0.041	-0.022
H5	1.286	1.707	0.558
N6	1.581	0.920	0.000
H7	-2.194	-1.097	-0.776
H8	-2.113	-1.009	0.997
H9	-0.926	-1.994	0.098
C10	-1.510	-1.075	0.081
H11	-1.351	1.794	0.931
H12	-2.117	1.336	-0.598
H13	-0.505	2.051	-0.620
C14	-1.159	1.373	-0.069

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3938	1.9878	3.1973	1.6847	1.0093	5.1370	5.0146	4.3659	4.4077	4.1284	4.7688	3.4402	3.7768
O2	2.3938		1.2201	2.2873	3.1075	2.2828	3.5096	3.5303	2.2664	2.7624	4.1821	4.3189	3.8466	3.6150
C3	1.9878	1.2201		1.3768	2.0704	1.3966	3.1792	3.1521	2.4583	2.4337	3.0645	3.3210	2.6631	2.4917
N4	3.1973	2.2873	1.3768		2.5751	2.3421	2.1069	2.1125	2.0667	1.4508	2.1350	2.0830	2.0982	1.4483
H5	1.6847	3.1075	2.0704	2.5751		1.0088	4.6646	4.3733	4.3365	3.9735	2.6650	3.6130	2.1708	2.5465
N6	1.0093	2.2828	1.3966	2.3421	1.0088		4.3502	4.2850	3.8454	3.6801	3.1980	3.7688	2.4521	2.7781
H7	5.1370	3.5096	3.1792	2.1069	4.6646	4.3502		1.7777	1.7826	1.0974	3.4616	2.4411	3.5764	2.7698
H8	5.0146	3.5303	3.1521	2.1125	4.3733	4.2850	1.7777		1.7850	1.0984	2.9057	2.8367	3.8167	2.7783
H9	4.3659	2.2664	2.4583	2.0667	4.3365	3.8454	1.7826	1.7850		1.0887	3.9016	3.6046	4.1299	3.3788
C10	4.4077	2.7624	2.4337	1.4508	3.9735	3.6801	1.0974	1.0984	1.0887		2.9965	2.5779	3.3581	2.4775
H11	4.1284	4.1821	3.0645	2.1350	2.6650	3.1980	3.4616	2.9057	3.9016	2.9965		1.7699	1.7851	1.1014
H12	4.7688	4.3189	3.3210	2.0830	3.6130	3.7688	2.4411	2.8367	3.6046	2.5779	1.7699		1.7636	1.0948
H13	3.4402	3.8466	2.6631	2.0982	2.1708	2.4521	3.5764	3.8167	4.1299	3.3581	1.7851	1.7636		1.0920
C14	3.7768	3.6150	2.4917	1.4483	2.5465	2.7781	2.7698	2.7783	3.3788	2.4775	1.1014	1.0948	1.0920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.384	H1	N6	H5	113.188
O2	C3	N4	123.369	O2	C3	N6	121.339
C3	N4	C10	118.772	C3	N4	C14	123.748
C3	N6	H5	117.901	N4	C3	N6	115.240
N4	C10	H7	110.780	N4	C10	H8	111.181
N4	C10	H9	108.096	N4	C14	H11	113.018
N4	C14	H12	109.192	N4	C14	H13	110.587
H7	C10	H8	108.106	H7	C10	H9	109.253
H8	C10	H9	109.402	C10	N4	C14	117.426
H11	C14	H12	107.399	H11	C14	H13	108.947
H12	C14	H13	107.503

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.258
2	O	-0.406
3	C	0.443
4	N	-0.087
5	H	0.248
6	N	-0.567
7	H	0.117
8	H	0.114
9	H	0.171
10	C	-0.338
11	H	0.116
12	H	0.132
13	H	0.145
14	C	-0.346

	x	y	z	Total
	-1.625	3.121	1.047	3.671
CHELPG
AIM
ESP

	x	y	z
x	9.064	0.000	-0.022
y	0.000	8.211	0.200
z	-0.022	0.200	5.370

<r²>	165.712
(<r²>)^1/2	12.873

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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