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	hartrees
Energy at 0K	-57.488336
Energy at 298.15K	-57.498445
Nuclear repulsion energy	141.068673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3726	3566	29.46
2	A	3606	3452	22.89
3	A	3194	3057	2.01
4	A	3161	3026	19.26
5	A	3117	2984	23.60
6	A	3106	2973	63.67
7	A	3046	2916	81.48
8	A	3024	2895	73.91
9	A	1802	1725	476.01
10	A	1622	1553	181.46
11	A	1536	1470	128.62
12	A	1515	1450	13.23
13	A	1498	1434	8.06
14	A	1490	1427	11.23
15	A	1473	1410	37.12
16	A	1446	1384	111.89
17	A	1416	1356	14.17
18	A	1329	1272	23.39
19	A	1265	1210	58.73
20	A	1154	1105	1.69
21	A	1116	1068	3.63
22	A	1091	1044	32.95
23	A	1080	1034	19.30
24	A	1032	987	30.55
25	A	780	746	6.78
26	A	776	743	66.32
27	A	598	573	144.20
28	A	586	561	73.54
29	A	494	473	4.20
30	A	410	392	11.06
31	A	380	364	36.69
32	A	303	290	9.07
33	A	185	177	5.91
34	A	152	146	2.08
35	A	119	114	7.95
36	A	85	81	0.97

Atom	x (Å)	y (Å)	z (Å)
H1	2.546	0.659	0.171
O2	1.246	-1.353	-0.059
C3	0.762	-0.217	-0.016
N4	-0.596	0.039	-0.037
H5	1.278	1.724	0.540
N6	1.583	0.926	-0.009
H7	-2.217	-1.093	-0.786
H8	-2.126	-0.998	1.001
H9	-0.953	-2.008	0.094
C10	-1.527	-1.073	0.076
H11	-1.222	1.834	0.952
H12	-2.163	1.349	-0.480
H13	-0.544	2.044	-0.700
C14	-1.147	1.383	-0.058

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4074	1.9968	3.2100	1.6966	1.0153	5.1649	5.0272	4.4003	4.4271	4.0238	4.8044	3.4962	3.7709
O2	2.4074		1.2361	2.3091	3.1348	2.3047	3.5478	3.5525	2.2987	2.7894	4.1559	4.3708	3.8927	3.6352
C3	1.9968	1.2361		1.3821	2.0833	1.4074	3.1990	3.1605	2.4818	2.4451	3.0132	3.3503	2.6983	2.4912
N4	3.2100	2.3091	1.3821		2.5850	2.3534	2.1140	2.1206	2.0817	1.4545	2.1432	2.0902	2.1119	1.4528
H5	1.6966	3.1348	2.0833	2.5850		1.0156	4.6802	4.3828	4.3698	3.9876	2.5357	3.6085	2.2264	2.5207
N6	1.0153	2.3047	1.4074	2.3534	1.0156		4.3729	4.2997	3.8793	3.6981	3.1015	3.7999	2.5002	2.7692
H7	5.1649	3.5478	3.1990	2.1140	4.6802	4.3729		1.7926	1.7918	1.1047	3.5471	2.4620	3.5560	2.7939
H8	5.0272	3.5525	3.1605	2.1206	4.3828	4.2997	1.7926		1.7941	1.1057	2.9741	2.7767	3.8280	2.7845
H9	4.4003	2.2987	2.4818	2.0817	4.3698	3.8793	1.7918	1.7941		1.0966	3.9458	3.6147	4.1486	3.3999
C10	4.4271	2.7894	2.4451	1.4545	3.9876	3.6981	1.1047	1.1057	1.0966		3.0521	2.5660	3.3590	2.4892
H11	4.0238	4.1559	3.0132	2.1432	2.5357	3.1015	3.5471	2.9741	3.9458	3.0521		1.7816	1.7979	1.1089
H12	4.8044	4.3708	3.3503	2.0902	3.6085	3.7999	2.4620	2.7767	3.6147	2.5660	1.7816		1.7757	1.1009
H13	3.4962	3.8927	2.6983	2.1119	2.2264	2.5002	3.5560	3.8280	4.1486	3.3590	1.7979	1.7757		1.1010
C14	3.7709	3.6352	2.4912	1.4528	2.5207	2.7692	2.7939	2.7845	3.3999	2.4892	1.1089	1.1009	1.1010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.960	H1	N6	H5	113.315
O2	C3	N4	123.661	O2	C3	N6	121.215
C3	N4	C10	119.058	C3	N4	C14	122.964
C3	N6	H5	117.680	N4	C3	N6	115.054
N4	C10	H7	110.651	N4	C10	H8	111.117
N4	C10	H9	108.565	N4	C14	H11	112.882
N4	C14	H12	109.093	N4	C14	H13	110.821
H7	C10	H8	108.390	H7	C10	H9	108.972
H8	C10	H9	109.110	C10	N4	C14	117.784
H11	C14	H12	107.458	H11	C14	H13	108.889
H12	C14	H13	107.504

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

using model chemistry: B1B95/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	0.333
2	O	-0.169
3	C	-0.382
4	N	0.229
5	H	0.317
6	N	-0.418
7	H	0.169
8	H	0.158
9	H	0.246
10	C	-0.502
11	H	0.160
12	H	0.201
13	H	0.207
14	C	-0.548

	x	y	z	Total
	-2.038	3.515	1.260	4.254
CHELPG
AIM
ESP

	x	y	z
x	8.534	-0.151	-0.090
y	-0.151	7.722	0.160
z	-0.090	0.160	5.052

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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