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	hartrees
Energy at 0K	-303.528883
Energy at 298.15K	-303.539056
Nuclear repulsion energy	251.873551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3556	3536	20.31
2	A	3444	3424	9.37
3	A	3097	3079	1.18
4	A	3065	3048	6.78
5	A	2998	2980	14.58
6	A	2987	2970	59.91
7	A	2933	2916	80.99
8	A	2903	2886	76.36
9	A	1736	1726	331.07
10	A	1549	1540	120.62
11	A	1482	1473	89.74
12	A	1427	1419	15.38
13	A	1418	1410	20.05
14	A	1417	1409	15.85
15	A	1403	1395	62.35
16	A	1368	1360	70.59
17	A	1349	1341	13.65
18	A	1279	1272	19.16
19	A	1229	1221	39.65
20	A	1117	1111	1.72
21	A	1077	1071	9.82
22	A	1069	1063	58.38
23	A	1039	1033	2.71
24	A	999	993	37.85
25	A	758	754	14.57
26	A	753	749	56.21
27	A	602	598	127.12
28	A	577	574	26.86
29	A	498	495	7.24
30	A	415	412	20.37
31	A	375	373	14.27
32	A	308	306	9.57
33	A	191	190	2.90
34	A	159	158	0.84
35	A	138	137	4.47
36	A	96	95	2.28

Atom	x (Å)	y (Å)	z (Å)
H1	2.549	0.666	0.161
O2	1.251	-1.343	-0.074
C3	0.768	-0.207	-0.015
N4	-0.599	0.040	-0.023
H5	1.288	1.692	0.631
N6	1.578	0.944	-0.007
H7	-2.208	-1.117	-0.778
H8	-2.112	-1.034	1.019
H9	-0.897	-2.007	0.092
C10	-1.507	-1.086	0.085
H11	-0.477	2.068	-0.576
H12	-1.428	1.778	0.936
H13	-2.111	1.348	-0.665
C14	-1.173	1.370	-0.072

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4033	1.9920	3.2150	1.6923	1.0240	5.1664	5.0349	4.3616	4.4194	3.4160	4.2019	4.7822	3.7953
O2	2.4033		1.2355	2.3105	3.1161	2.3112	3.5373	3.5496	2.2544	2.7749	3.8567	4.2354	4.3470	3.6383
C3	1.9920	1.2355		1.3889	2.0729	1.4081	3.2037	3.1693	2.4535	2.4408	2.6537	3.1094	3.3362	2.5016
N4	3.2150	2.3105	1.3889		2.5916	2.3572	2.1209	2.1282	2.0719	1.4512	2.1053	2.1509	2.0999	1.4494
H5	1.6923	3.1161	2.0729	2.5916		1.0248	4.7008	4.3752	4.3297	3.9788	2.1709	2.7347	3.6543	2.5795
N6	1.0240	2.3112	1.4081	2.3572	1.0248		4.3791	4.3105	3.8526	3.6946	2.4108	3.2591	3.7695	2.7846
H7	5.1664	3.5373	3.2037	2.1209	4.7008	4.3791		1.8017	1.8080	1.1125	3.6304	3.4533	2.4691	2.7848
H8	5.0349	3.5496	3.1693	2.1282	4.3752	4.3105	1.8017		1.8115	1.1136	3.8522	2.8951	2.9173	2.8025
H9	4.3616	2.2544	2.4535	2.0719	4.3297	3.8526	1.8080	1.8115		1.1045	4.1506	3.9139	3.6473	3.3923
C10	4.4194	2.7749	2.4408	1.4512	3.9788	3.6946	1.1125	1.1136	1.1045		3.3836	2.9889	2.6179	2.4842
H11	3.4160	3.8567	2.6537	2.1053	2.1709	2.4108	3.6304	3.8522	4.1506	3.3836		1.8094	1.7881	1.1065
H12	4.2019	4.2354	3.1094	2.1509	2.7347	3.2591	3.4533	2.8951	3.9139	2.9889	1.8094		1.7931	1.1172
H13	4.7822	4.3470	3.3362	2.0999	3.6543	3.7695	2.4691	2.9173	3.6473	2.6179	1.7881	1.7931		1.1103
C14	3.7953	3.6383	2.5016	1.4494	2.5795	2.7846	2.7848	2.8025	3.3923	2.4842	1.1065	1.1172	1.1103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	108.949	H1	N6	H5	111.385
O2	C3	N4	123.281	O2	C3	N6	121.773
C3	N4	C10	118.486	C3	N4	C14	123.609
C3	N6	H5	115.969	N4	C3	N6	114.864
N4	C10	H7	110.952	N4	C10	H8	111.469
N4	C10	H9	107.549	N4	C14	H11	110.200
N4	C14	H12	113.241	N4	C14	H13	109.535
H7	C10	H8	108.070	H7	C10	H9	109.273
H8	C10	H9	109.507	C10	N4	C14	117.843
H11	C14	H12	108.917	H11	C14	H13	107.532
H12	C14	H13	107.220

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.101
2	O	-0.277
3	C	0.183
4	N	-0.251
5	H	0.094
6	N	-0.134
7	H	0.036
8	H	0.031
9	H	0.059
10	C	0.023
11	H	0.048
12	H	0.034
13	H	0.040
14	C	0.012

	x	y	z	Total
	-1.480	2.972	1.098	3.497
CHELPG
AIM
ESP

	x	y	z
x	9.581	0.028	-0.001
y	0.028	8.626	0.243
z	-0.001	0.243	5.409

<r²>	167.470
(<r²>)^1/2	12.941

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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