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	hartrees
Energy at 0K	-303.628120
Energy at 298.15K	-303.638261
Nuclear repulsion energy	252.737372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3590	3565	24.62
2	A	3480	3456	12.13
3	A	3082	3061	1.40
4	A	3043	3022	9.91
5	A	2997	2976	19.63
6	A	2980	2959	48.62
7	A	2934	2914	75.27
8	A	2905	2885	71.70
9	A	1708	1696	356.78
10	A	1569	1558	120.24
11	A	1490	1480	66.87
12	A	1454	1444	11.97
13	A	1446	1436	15.58
14	A	1445	1435	12.24
15	A	1422	1412	55.87
16	A	1375	1366	114.57
17	A	1375	1365	15.55
18	A	1260	1251	23.03
19	A	1231	1223	45.25
20	A	1129	1121	2.09
21	A	1089	1081	3.21
22	A	1063	1056	58.41
23	A	1047	1040	6.95
24	A	996	989	33.96
25	A	753	748	6.07
26	A	742	737	34.87
27	A	585	581	37.41
28	A	559	555	142.67
29	A	497	494	5.95
30	A	426	423	26.47
31	A	378	375	10.48
32	A	306	304	9.71
33	A	184	182	2.94
34	A	148	147	1.42
35	A	133	132	3.67
36	A	99	98	2.53

Atom	x (Å)	y (Å)	z (Å)
H1	2.545	0.674	0.171
O2	1.247	-1.342	-0.063
C3	0.765	-0.210	-0.016
N4	-0.594	0.039	-0.036
H5	1.270	1.730	0.537
N6	1.579	0.930	-0.006
H7	-2.216	-1.093	-0.768
H8	-2.093	-1.028	1.013
H9	-0.921	-2.003	0.071
C10	-1.510	-1.081	0.078
H11	-1.332	1.790	0.951
H12	-2.138	1.337	-0.568
H13	-0.521	2.056	-0.627
C14	-1.164	1.371	-0.060

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4088	1.9960	3.2094	1.6960	1.0151	5.1642	5.0119	4.3804	4.4196	4.1095	4.7876	3.4566	3.7814
O2	2.4088		1.2315	2.3013	3.1300	2.2967	3.5425	3.5230	2.2703	2.7731	4.1814	4.3465	3.8714	3.6297
C3	1.9960	1.2315		1.3817	2.0792	1.4005	3.1986	3.1459	2.4629	2.4381	3.0543	3.3356	2.6757	2.4945
N4	3.2094	2.3013	1.3817		2.5813	2.3489	2.1090	2.1179	2.0706	1.4512	2.1408	2.0865	2.1030	1.4495
H5	1.6960	3.1300	2.0792	2.5813		1.0154	4.6717	4.3753	4.3536	3.9802	2.6356	3.6046	2.1611	2.5319
N6	1.0151	2.2967	1.4005	2.3489	1.0154		4.3673	4.2845	3.8546	3.6870	3.1828	3.7816	2.4623	2.7790
H7	5.1642	3.5425	3.1986	2.1090	4.6717	4.3673		1.7871	1.7912	1.1018	3.4707	2.4397	3.5785	2.7715
H8	5.0119	3.5230	3.1459	2.1179	4.3753	4.2845	1.7871		1.7926	1.1033	2.9188	2.8451	3.8303	2.7874
H9	4.3804	2.2703	2.4629	2.0706	4.3536	3.8546	1.7912	1.7926		1.0944	3.9148	3.6119	4.1375	3.3855
C10	4.4196	2.7731	2.4381	1.4512	3.9802	3.6870	1.1018	1.1033	1.0944		3.0053	2.5802	3.3635	2.4802
H11	4.1095	4.1814	3.0543	2.1408	2.6356	3.1828	3.4707	2.9188	3.9148	3.0053		1.7780	1.7946	1.1066
H12	4.7876	4.3465	3.3356	2.0865	3.6046	3.7816	2.4397	2.8451	3.6119	2.5802	1.7780		1.7708	1.0993
H13	3.4566	3.8714	2.6757	2.1030	2.1611	2.4623	3.5785	3.8303	4.1375	3.3635	1.7946	1.7708		1.0975
C14	3.7814	3.6297	2.4945	1.4495	2.5319	2.7790	2.7715	2.7874	3.3855	2.4802	1.1066	1.0993	1.0975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.419	H1	N6	H5	113.288
O2	C3	N4	123.349	O2	C3	N6	121.395
C3	N4	C10	118.758	C3	N4	C14	123.537
C3	N6	H5	117.896	N4	C3	N6	115.181
N4	C10	H7	110.647	N4	C10	H8	111.280
N4	C10	H9	108.034	N4	C14	H11	113.081
N4	C14	H12	109.125	N4	C14	H13	110.560
H7	C10	H8	108.274	H7	C10	H9	109.283
H8	C10	H9	109.297	C10	N4	C14	117.525
H11	C14	H12	107.419	H11	C14	H13	109.021
H12	C14	H13	107.434

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.145
2	O	-0.351
3	C	0.207
4	N	-0.038
5	H	0.135
6	N	-0.239
7	H	0.086
8	H	0.082
9	H	0.121
10	C	-0.210
11	H	0.082
12	H	0.093
13	H	0.095
14	C	-0.206

	x	y	z	Total
	-1.725	3.207	1.006	3.778
CHELPG
AIM
ESP

	x	y	z
x	10.334	0.027	-0.023
y	0.027	9.451	0.178
z	-0.023	0.178	6.292

<r²>	167.009
(<r²>)^1/2	12.923

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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