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	hartrees
Energy at 0K	-303.895102
Energy at 298.15K	-303.905378
Nuclear repulsion energy	252.841058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3533	22.46
2	A	3534	3428	15.73
3	A	3168	3073	0.84
4	A	3128	3034	9.63
5	A	3064	2972	24.40
6	A	3048	2956	54.44
7	A	2999	2909	76.24
8	A	2972	2883	72.01
9	A	1778	1725	381.91
10	A	1606	1558	126.04
11	A	1527	1481	94.01
12	A	1480	1436	12.86
13	A	1471	1427	17.77
14	A	1470	1426	12.04
15	A	1456	1412	55.64
16	A	1418	1375	116.23
17	A	1409	1366	8.11
18	A	1306	1267	31.25
19	A	1268	1230	40.48
20	A	1157	1122	2.40
21	A	1116	1083	4.41
22	A	1103	1070	69.64
23	A	1076	1044	5.48
24	A	1027	996	36.29
25	A	784	760	68.22
26	A	772	749	2.52
27	A	611	593	121.88
28	A	593	575	42.03
29	A	514	498	7.96
30	A	424	412	23.00
31	A	388	376	16.97
32	A	319	309	9.70
33	A	193	187	3.83
34	A	152	147	0.95
35	A	137	133	4.73
36	A	91	88	2.09

Atom	x (Å)	y (Å)	z (Å)
H1	2.548	0.653	0.161
O2	1.239	-1.339	-0.074
C3	0.765	-0.211	-0.017
N4	-0.594	0.041	-0.023
H5	1.294	1.689	0.605
N6	1.583	0.926	-0.002
H7	-2.200	-1.107	-0.780
H8	-2.122	-1.007	1.005
H9	-0.924	-2.001	0.108
C10	-1.513	-1.077	0.085
H11	-0.483	2.062	-0.596
H12	-1.386	1.788	0.932
H13	-2.108	1.348	-0.636
C14	-1.161	1.374	-0.072

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3953	1.9897	3.2057	1.6858	1.0163	5.1501	5.0277	4.3708	4.4146	3.4272	4.1664	4.7745	3.7857
O2	2.3953		1.2255	2.2953	3.1035	2.2925	3.5186	3.5463	2.2699	2.7692	3.8481	4.2054	4.3291	3.6230
C3	1.9897	1.2255		1.3813	2.0676	1.4010	3.1893	3.1641	2.4643	2.4386	2.6566	3.0858	3.3262	2.4948
N4	3.2057	2.2953	1.3813		2.5823	2.3493	2.1146	2.1196	2.0735	1.4519	2.1030	2.1427	2.0917	1.4495
H5	1.6858	3.1035	2.0676	2.5823		1.0163	4.6835	4.3695	4.3336	3.9743	2.1769	2.7016	3.6369	2.5657
N6	1.0163	2.2925	1.4010	2.3493	1.0163		4.3641	4.2985	3.8558	3.6882	2.4312	3.2295	3.7684	2.7811
H7	5.1501	3.5186	3.1893	2.1146	4.6835	4.3641		1.7896	1.7934	1.1050	3.6083	3.4602	2.4603	2.7813
H8	5.0277	3.5463	3.1641	2.1196	4.3695	4.2985	1.7896		1.7970	1.1060	3.8296	2.8907	2.8696	2.7843
H9	4.3708	2.2699	2.4643	2.0735	4.3336	3.8558	1.7934	1.7970		1.0959	4.1472	3.9051	3.6291	3.3886
C10	4.4146	2.7692	2.4386	1.4519	3.9743	3.6882	1.1050	1.1060	1.0959		3.3730	2.9904	2.5987	2.4814
H11	3.4272	3.8481	2.6566	2.1030	2.1769	2.4312	3.6083	3.8296	4.1472	3.3730		1.7964	1.7753	1.0987
H12	4.1664	4.2054	3.0858	2.1427	2.7016	3.2295	3.4602	2.8907	3.9051	2.9904	1.7964		1.7815	1.1092
H13	4.7745	4.3291	3.3262	2.0917	3.6369	3.7684	2.4603	2.8696	3.6291	2.5987	1.7753	1.7815		1.1023
C14	3.7857	3.6230	2.4948	1.4495	2.5657	2.7811	2.7813	2.7843	3.3886	2.4814	1.0987	1.1092	1.1023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.774	H1	N6	H5	112.069
O2	C3	N4	123.298	O2	C3	N6	121.436
C3	N4	C10	118.777	C3	N4	C14	123.588
C3	N6	H5	116.691	N4	C3	N6	115.207
N4	C10	H7	110.860	N4	C10	H8	111.202
N4	C10	H9	108.131	N4	C14	H11	110.477
N4	C14	H12	113.062	N4	C14	H13	109.359
H7	C10	H8	108.080	H7	C10	H9	109.148
H8	C10	H9	109.394	C10	N4	C14	117.577
H11	C14	H12	108.896	H11	C14	H13	107.528
H12	C14	H13	107.326

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

using model chemistry: B3LYP/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	0.100
2	O	-0.303
3	C	0.209
4	N	-0.272
5	H	0.091
6	N	-0.134
7	H	0.023
8	H	0.018
9	H	0.053
10	C	0.071
11	H	0.037
12	H	0.021
13	H	0.028
14	C	0.060

	x	y	z	Total
	-1.567	3.103	1.101	3.646
CHELPG
AIM
ESP

	x	y	z
x	9.043	-0.012	-0.004
y	-0.012	8.235	0.225
z	-0.004	0.225	5.247

<r²>	166.593
(<r²>)^1/2	12.907

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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