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	hartrees
Energy at 0K	-302.076539
Energy at 298.15K	-302.087086
Nuclear repulsion energy	256.076615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3938	3566	36.92
2	A	3823	3461	37.08
3	A	3336	3020	1.92
4	A	3270	2961	21.54
5	A	3230	2925	31.56
6	A	3201	2899	54.40
7	A	3156	2858	66.90
8	A	3138	2841	63.00
9	A	1926	1744	512.12
10	A	1777	1609	160.59
11	A	1662	1505	93.94
12	A	1637	1482	8.94
13	A	1625	1472	7.50
14	A	1621	1468	11.72
15	A	1610	1458	54.15
16	A	1565	1417	11.69
17	A	1558	1411	194.17
18	A	1416	1282	52.58
19	A	1382	1251	42.38
20	A	1271	1151	5.22
21	A	1229	1113	2.13
22	A	1203	1089	56.17
23	A	1177	1066	21.49
24	A	1114	1009	33.28
25	A	883	800	76.00
26	A	825	747	3.81
27	A	650	589	20.05
28	A	610	553	163.90
29	A	556	503	11.30
30	A	468	424	46.59
31	A	426	385	16.85
32	A	345	313	11.00
33	A	207	187	6.39
34	A	155	141	2.07
35	A	115	104	5.26
36	A	77	69	0.92

Atom	x (Å)	y (Å)	z (Å)
H1	2.527	0.631	0.166
O2	1.212	-1.323	-0.066
C3	0.755	-0.217	-0.019
N4	-0.580	0.043	-0.024
H5	1.286	1.697	0.494
N6	1.581	0.887	0.003
H7	-2.163	-1.089	-0.795
H8	-2.137	-0.953	0.962
H9	-0.963	-1.981	0.137
C10	-1.514	-1.058	0.076
H11	-1.225	1.822	0.928
H12	-2.128	1.327	-0.491
H13	-0.541	2.027	-0.691
C14	-1.135	1.375	-0.062

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3675	1.9733	3.1684	1.6687	0.9938	5.0879	4.9895	4.3598	4.3806	4.0096	4.7530	3.4780	3.7436
O2	2.3675		1.1980	2.2536	3.0723	2.2418	3.4609	3.5223	2.2812	2.7420	4.1013	4.2850	3.8320	3.5756
C3	1.9733	1.1980		1.3603	2.0507	1.3784	3.1435	3.1411	2.4678	2.4215	2.9957	3.3046	2.6765	2.4710
N4	3.1684	2.2536	1.3603		2.5465	2.3203	2.0934	2.0939	2.0660	1.4463	2.1185	2.0653	2.0935	1.4435
H5	1.6687	3.0723	2.0507	2.5465		0.9921	4.6170	4.3531	4.3254	3.9491	2.5506	3.5723	2.2020	2.5040
N6	0.9938	2.2418	1.3784	2.3203	0.9921		4.3082	4.2572	3.8360	3.6554	3.0988	3.7678	2.5067	2.7597
H7	5.0879	3.4609	3.1435	2.0934	4.6170	4.3082		1.7620	1.7624	1.0871	3.5107	2.4356	3.5143	2.7688
H8	4.9895	3.5223	3.1411	2.0939	4.3531	4.2572	1.7620		1.7648	1.0879	2.9213	2.7037	3.7620	2.7333
H9	4.3598	2.2812	2.4678	2.0660	4.3254	3.8360	1.7624	1.7648		1.0770	3.8936	3.5635	4.1141	3.3663
C10	4.3806	2.7420	2.4215	1.4463	3.9491	3.6554	1.0871	1.0879	1.0770		3.0171	2.5273	3.3235	2.4656
H11	4.0096	4.1013	2.9957	2.1185	2.5506	3.0988	3.5107	2.9213	3.8936	3.0171		1.7537	1.7685	1.0903
H12	4.7530	4.2850	3.3046	2.0653	3.5723	3.7678	2.4356	2.7037	3.5635	2.5273	1.7537		1.7457	1.0834
H13	3.4780	3.8320	2.6765	2.0935	2.2020	2.5067	3.5143	3.7620	4.1141	3.3235	1.7685	1.7457		1.0823
C14	3.7436	3.5756	2.4710	1.4435	2.5040	2.7597	2.7688	2.7333	3.3663	2.4656	1.0903	1.0834	1.0823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.549	H1	N6	H5	114.337
O2	C3	N4	123.374	O2	C3	N6	120.781
C3	N4	C10	119.232	C3	N4	C14	123.575
C3	N6	H5	118.883	N4	C3	N6	115.818
N4	C10	H7	110.650	N4	C10	H8	110.641
N4	C10	H9	109.044	N4	C14	H11	112.719
N4	C14	H12	108.804	N4	C14	H13	111.152
H7	C10	H8	108.216	H7	C10	H9	109.045
H8	C10	H9	109.213	C10	N4	C14	117.132
H11	C14	H12	107.564	H11	C14	H13	108.978
H12	C14	H13	107.423

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

using model chemistry: HF/6-31G(2df,p)

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	0.302
2	O	-0.534
3	C	0.655
4	N	-0.346
5	H	0.293
6	N	-0.675
7	H	0.134
8	H	0.130
9	H	0.201
10	C	-0.302
11	H	0.133
12	H	0.156
13	H	0.165
14	C	-0.312

	x	y	z	Total
	-1.787	3.454	1.069	4.033
CHELPG
AIM
ESP

	x	y	z
x	7.937	-0.048	-0.019
y	-0.048	7.445	0.160
z	-0.019	0.160	5.161

<r²>	163.363
(<r²>)^1/2	12.781

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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