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	hartrees
Energy at 0K	-57.563360
Energy at 298.15K	-57.574294
Nuclear repulsion energy	140.395864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3663	3537	18.80
2	A	3551	3429	15.50
3	A	3178	3069	7.87
4	A	3152	3044	39.36
5	A	3092	2986	94.35
6	A	3090	2984	8.24
7	A	3018	2915	97.80
8	A	3012	2908	50.36
9	A	1760	1700	390.81
10	A	1640	1584	146.47
11	A	1525	1473	48.71
12	A	1501	1449	13.29
13	A	1497	1445	7.53
14	A	1485	1434	28.12
15	A	1476	1425	17.50
16	A	1441	1392	4.81
17	A	1414	1366	208.28
18	A	1272	1229	51.01
19	A	1251	1208	14.09
20	A	1160	1120	8.34
21	A	1113	1075	4.54
22	A	1095	1058	79.73
23	A	1070	1033	13.90
24	A	1012	977	23.08
25	A	782	755	87.43
26	A	761	735	2.65
27	A	629	607	169.54
28	A	581	561	23.20
29	A	493	476	4.87
30	A	426	412	19.63
31	A	382	369	21.98
32	A	314	304	7.88
33	A	230	223	20.77
34	A	138	133	1.64
35	A	102	99	3.12

Atom	x (Å)	y (Å)	z (Å)
H1	-2.630	0.490	-0.066
O2	-1.171	-1.410	0.151
C3	-0.772	-0.248	-0.012
N4	0.572	0.078	-0.213
H5	-1.487	1.604	-0.636
N6	-1.676	0.840	0.012
H7	1.836	-1.184	0.976
H8	2.432	-0.799	-0.676
H9	1.073	-1.956	-0.445
C10	1.533	-1.029	-0.079
H11	0.422	2.210	-0.101
H12	2.050	1.565	-0.413
H13	1.344	1.464	1.233
C14	1.116	1.396	0.149

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4053	2.0002	3.2320	1.6952	1.0195	4.8819	5.2587	4.4543	4.4316	3.5040	4.8153	4.2930	3.8607
O2	2.4053		1.2389	2.3205	3.1308	2.3103	3.1259	3.7465	2.3855	2.7401	3.9633	4.4213	3.9691	3.6203
C3	2.0002	1.2389		1.3977	2.0809	1.4153	2.9416	3.3177	2.5511	2.4346	2.7348	3.3789	2.9932	2.5094
N4	3.2320	2.3205	1.3977		2.5969	2.3845	2.1460	2.1073	2.1074	1.4724	2.1404	2.1065	2.1464	1.4715
H5	1.6952	3.1308	2.0809	2.5969		1.0195	4.6269	4.5962	4.3887	4.0449	2.0727	3.5443	3.3944	2.7266
N6	1.0195	2.3103	1.4153	2.3845	1.0195		4.1665	4.4758	3.9480	3.7150	2.5085	3.8203	3.3164	2.8506
H7	4.8819	3.1259	2.9416	2.1460	4.6269	4.1665		1.7984	1.7877	1.1085	3.8317	3.0880	2.7056	2.8036
H8	5.2587	3.7465	3.3177	2.1073	4.5962	4.4758	1.7984		1.7991	1.1036	3.6635	2.4086	3.1536	2.6885
H9	4.4543	2.3855	2.5511	2.1074	4.3887	3.9480	1.7877	1.7991		1.0968	4.2306	3.6540	3.8185	3.4045
C10	4.4316	2.7401	2.4346	1.4724	4.0449	3.7150	1.1085	1.1036	1.0968		3.4250	2.6668	2.8236	2.4718
H11	3.5040	3.9633	2.7348	2.1404	2.0727	2.5085	3.8317	3.6635	4.2306	3.4250		1.7792	1.7850	1.0988
H12	4.8153	4.4213	3.3789	2.1065	3.5443	3.8203	3.0880	2.4086	3.6540	2.6668	1.7792		1.7940	1.1035
H13	4.2930	3.9691	2.9932	2.1464	3.3944	3.3164	2.7056	3.1536	3.8185	2.8236	1.7850	1.7940		1.1091
C14	3.8607	3.6203	2.5094	1.4715	2.7266	2.8506	2.8036	2.6885	3.4045	2.4718	1.0988	1.1035	1.1091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.395	H1	N6	H5	112.489
O2	C3	N4	123.202	O2	C3	N6	120.877
C3	N4	C10	116.017	C3	N4	C14	121.975
C3	N6	H5	116.507	N4	C3	N6	115.917
N4	C10	H7	111.725	N4	C10	H8	108.940
N4	C10	H9	109.355	N4	C14	H11	111.946
N4	C14	H12	108.944	N4	C14	H13	111.791
H7	C10	H8	108.780	H7	C10	H9	108.317
H8	C10	H9	109.703	C10	N4	C14	114.203
H11	C14	H12	107.775	H11	C14	H13	107.892
H12	C14	H13	108.354

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

using model chemistry: B3LYP/CEP-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	0.324
2	O	-0.169
3	C	-0.315
4	N	0.140
5	H	0.292
6	N	-0.410
7	H	0.158
8	H	0.171
9	H	0.242
10	C	-0.495
11	H	0.180
12	H	0.181
13	H	0.164
14	C	-0.463

	x	y	z	Total
	1.585	3.316	-1.050	3.822
CHELPG
AIM
ESP

	x	y	z
x	8.554	0.136	-0.041
y	0.136	7.877	-0.160
z	-0.041	-0.160	5.218

<r²>	138.925
(<r²>)^1/2	11.787

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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