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	hartrees
Energy at 0K	-303.887059
Energy at 298.15K	-303.897283
HF Energy	-303.887059
Nuclear repulsion energy	252.911202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3496	19.10
2	A	3533	3389	11.52
3	A	3189	3060	1.35
4	A	3141	3014	13.72
5	A	3090	2964	25.17
6	A	3076	2951	61.39
7	A	3028	2905	77.06
8	A	3003	2881	71.83
9	A	1785	1712	346.02
10	A	1664	1596	119.81
11	A	1571	1508	32.49
12	A	1548	1485	12.14
13	A	1538	1476	8.57
14	A	1538	1475	16.68
15	A	1504	1443	66.09
16	A	1455	1396	6.86
17	A	1444	1385	171.52
18	A	1303	1250	40.15
19	A	1281	1229	46.68
20	A	1181	1133	3.63
21	A	1142	1095	3.90
22	A	1113	1068	70.32
23	A	1092	1048	10.90
24	A	1032	991	30.38
25	A	776	745	103.68
26	A	768	737	3.90
27	A	621	596	157.26
28	A	589	565	20.52
29	A	503	483	9.33
30	A	440	422	29.55
31	A	381	366	10.86
32	A	309	296	8.77
33	A	188	181	6.03
34	A	154	148	1.46
35	A	133	127	5.34
36	A	90	86	1.96

Atom	x (Å)	y (Å)	z (Å)
H1	-2.557	0.657	-0.074
O2	-1.204	-1.365	0.070
C3	-0.756	-0.226	-0.021
N4	0.594	0.056	-0.140
H5	-1.305	1.751	-0.437
N6	-1.581	0.898	0.034
H7	1.868	-1.203	1.014
H8	2.389	-0.890	-0.665
H9	1.003	-1.968	-0.337
C10	1.521	-1.064	-0.020
H11	0.794	2.097	-0.696
H12	2.211	1.357	0.044
H13	0.823	1.802	1.062
C14	1.120	1.398	0.085

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4373	2.0069	3.2094	1.7019	1.0119	4.9225	5.2159	4.4311	4.4265	3.7007	4.8209	3.7458	3.7548
O2	2.4373		1.2282	2.3018	3.1587	2.2944	3.2186	3.6979	2.3238	2.7431	4.0705	4.3675	3.8893	3.6106
C3	2.0069	1.2282		1.3842	2.0932	1.3947	2.9855	3.2776	2.4957	2.4257	2.8728	3.3629	2.7888	2.4828
N4	3.2094	2.3018	1.3842		2.5635	2.3388	2.1306	2.0950	2.0738	1.4577	2.1254	2.0834	2.1326	1.4588
H5	1.7019	3.1587	2.0932	2.5635		1.0127	4.5722	4.5467	4.3781	4.0102	2.1436	3.5709	2.6042	2.5062
N6	1.0119	2.2944	1.3947	2.3388	1.0127		4.1556	4.4091	3.8761	3.6698	2.7588	3.8192	2.7664	2.7470
H7	4.9225	3.2186	2.9855	2.1306	4.5722	4.1556		1.7857	1.7777	1.0998	3.8693	2.7590	3.1819	2.8611
H8	5.2159	3.6979	3.2776	2.0950	4.5467	4.4091	1.7857		1.7860	1.0954	3.3864	2.3631	3.5612	2.7214
H9	4.4311	2.3238	2.4957	2.0738	4.3781	3.8761	1.7777	1.7860		1.0895	4.0864	3.5581	4.0253	3.3940
C10	4.4265	2.7431	2.4257	1.4577	4.0102	3.6698	1.0998	1.0954	1.0895		3.3130	2.5178	3.1414	2.4957
H11	3.7007	4.0705	2.8728	2.1254	2.1436	2.7588	3.8693	3.3864	4.0864	3.3130		1.7617	1.7836	1.0985
H12	4.8209	4.3675	3.3629	2.0834	3.5709	3.8192	2.7590	2.3631	3.5581	2.5178	1.7617		1.7779	1.0923
H13	3.7458	3.8893	2.7888	2.1326	2.6042	2.7664	3.1819	3.5612	4.0253	3.1414	1.7836	1.7779		1.0984
C14	3.7548	3.6106	2.4828	1.4588	2.5062	2.7470	2.8611	2.7214	3.3940	2.4957	1.0985	1.0923	1.0984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	112.020	H1	N6	H5	114.412
O2	C3	N4	123.441	O2	C3	N6	121.900
C3	N4	C10	117.179	C3	N4	C14	121.674
C3	N6	H5	119.959	N4	C3	N6	114.625
N4	C10	H7	112.079	N4	C10	H8	109.473
N4	C10	H9	108.140	N4	C14	H11	111.655
N4	C14	H12	108.655	N4	C14	H13	112.249
H7	C10	H8	108.877	H7	C10	H9	108.583
H8	C10	H9	109.661	C10	N4	C14	117.678
H11	C14	H12	107.054	H11	C14	H13	108.558
H12	C14	H13	108.493

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

using model chemistry: TPSSh/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	0.349
2	O	-0.538
3	C	0.720
4	N	-0.438
5	H	0.332
6	N	-0.790
7	H	0.161
8	H	0.159
9	H	0.218
10	C	-0.345
11	H	0.161
12	H	0.178
13	H	0.192
14	C	-0.359

	x	y	z	Total
	-1.718	3.121	1.221	3.766
CHELPG
AIM
ESP

	x	y	z
x	8.791	-0.056	-0.054
y	-0.056	7.929	0.249
z	-0.054	0.249	4.964

<r²>	166.209
(<r²>)^1/2	12.892

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

using model chemistry: TPSSh/6-31G*

States and conformations

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