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	hartrees
Energy at 0K	-303.816301
Energy at 298.15K	-303.826570
Nuclear repulsion energy	254.784265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3713	3559	21.82
2	A	3601	3452	14.92
3	A	3187	3055	1.04
4	A	3140	3010	15.36
5	A	3097	2968	24.65
6	A	3077	2949	58.18
7	A	3026	2901	75.18
8	A	2999	2875	74.20
9	A	1805	1730	425.45
10	A	1658	1589	157.71
11	A	1556	1492	96.12
12	A	1526	1463	17.61
13	A	1517	1454	6.45
14	A	1511	1449	16.71
15	A	1489	1427	75.57
16	A	1444	1384	107.91
17	A	1438	1378	33.56
18	A	1328	1273	25.84
19	A	1283	1230	50.68
20	A	1173	1125	2.80
21	A	1133	1086	4.11
22	A	1108	1062	47.05
23	A	1092	1047	13.50
24	A	1043	1000	33.74
25	A	788	756	48.61
26	A	783	751	16.15
27	A	606	581	26.93
28	A	585	561	183.34
29	A	510	489	4.69
30	A	428	411	36.09
31	A	389	373	15.04
32	A	315	302	9.94
33	A	190	182	5.09
34	A	160	153	1.91
35	A	124	119	5.39
36	A	95	91	2.31

Atom	x (Å)	y (Å)	z (Å)
H1	2.530	0.665	0.154
O2	1.228	-1.336	-0.068
C3	0.757	-0.216	-0.016
N4	-0.589	0.041	-0.027
H5	1.266	1.707	0.542
N6	1.566	0.913	0.001
H7	-2.196	-1.082	-0.770
H8	-2.096	-1.008	1.001
H9	-0.930	-1.986	0.084
C10	-1.508	-1.067	0.080
H11	-1.235	1.827	0.929
H12	-2.136	1.332	-0.505
H13	-0.531	2.021	-0.696
C14	-1.139	1.372	-0.066

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3975	1.9863	3.1859	1.6835	1.0064	5.1223	4.9916	4.3591	4.3935	4.0155	4.7593	3.4536	3.7428
O2	2.3975		1.2168	2.2807	3.1041	2.2754	3.5048	3.5078	2.2591	2.7532	4.1316	4.3167	3.8422	3.5973
C3	1.9863	1.2168		1.3709	2.0655	1.3884	3.1689	3.1316	2.4478	2.4215	3.0061	3.3179	2.6691	2.4739
N4	3.1859	2.2807	1.3709		2.5575	2.3254	2.0965	2.1041	2.0581	1.4425	2.1267	2.0713	2.0912	1.4410
H5	1.6835	3.1041	2.0655	2.5575		1.0068	4.6352	4.3455	4.3208	3.9493	2.5333	3.5791	2.2038	2.5029
N6	1.0064	2.2754	1.3884	2.3254	1.0068		4.3277	4.2547	3.8263	3.6568	3.0894	3.7605	2.4722	2.7449
H7	5.1223	3.5048	3.1689	2.0965	4.6352	4.3277		1.7756	1.7745	1.0939	3.5039	2.4299	3.5229	2.7636
H8	4.9916	3.5078	3.1316	2.1041	4.3455	4.2547	1.7756		1.7774	1.0950	2.9636	2.7828	3.8083	2.7779
H9	4.3591	2.2591	2.4478	2.0581	4.3208	3.8263	1.7745	1.7774		1.0858	3.9176	3.5795	4.1018	3.3679
C10	4.3935	2.7532	2.4215	1.4425	3.9493	3.6568	1.0939	1.0950	1.0858		3.0281	2.5478	3.3301	2.4706
H11	4.0155	4.1316	3.0061	2.1267	2.5333	3.0894	3.5039	2.9636	3.9176	3.0281		1.7648	1.7814	1.0983
H12	4.7593	4.3167	3.3179	2.0713	3.5791	3.7605	2.4299	2.7828	3.5795	2.5478	1.7648		1.7575	1.0904
H13	3.4536	3.8422	2.6691	2.0912	2.2038	2.4722	3.5229	3.8083	4.1018	3.3301	1.7814	1.7575		1.0901
C14	3.7428	3.5973	2.4739	1.4410	2.5029	2.7449	2.7636	2.7779	3.3679	2.4706	1.0983	1.0904	1.0901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.076	H1	N6	H5	113.494
O2	C3	N4	123.508	O2	C3	N6	121.576
C3	N4	C10	118.773	C3	N4	C14	123.216
C3	N6	H5	118.300	N4	C3	N6	114.863
N4	C10	H7	110.746	N4	C10	H8	111.300
N4	C10	H9	108.155	N4	C14	H11	113.067
N4	C14	H12	109.032	N4	C14	H13	110.662
H7	C10	H8	108.430	H7	C10	H9	108.992
H8	C10	H9	109.179	C10	N4	C14	117.920
H11	C14	H12	107.475	H11	C14	H13	108.982
H12	C14	H13	107.421

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

using model chemistry: B1B95/6-311G*

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	0.354
2	O	-0.409
3	C	0.581
4	N	-0.357
5	H	0.343
6	N	-0.808
7	H	0.219
8	H	0.215
9	H	0.265
10	C	-0.540
11	H	0.221
12	H	0.234
13	H	0.245
14	C	-0.564

	x	y	z	Total
	-1.714	3.303	1.131	3.889
CHELPG
AIM
ESP

	x	y	z
x	8.857	-0.043	-0.044
y	-0.043	8.147	0.195
z	-0.044	0.195	5.383

<r²>	164.377
(<r²>)^1/2	12.821

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

using model chemistry: B1B95/6-311G*

States and conformations

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