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	hartrees
Energy at 0K	-302.368843
Energy at 298.15K	-302.379123
Nuclear repulsion energy	255.473868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3609	3551	34.13
2	A	3493	3436	19.04
3	A	3072	3022	0.74
4	A	3042	2992	7.19
5	A	2997	2948	9.08
6	A	2986	2937	53.54
7	A	2933	2885	71.75
8	A	2901	2854	70.33
9	A	1778	1749	376.05
10	A	1590	1564	214.10
11	A	1515	1490	132.15
12	A	1455	1431	22.90
13	A	1447	1423	17.33
14	A	1441	1418	22.56
15	A	1429	1406	61.32
16	A	1392	1370	23.78
17	A	1365	1342	41.90
18	A	1327	1306	9.52
19	A	1255	1235	39.06
20	A	1134	1115	2.40
21	A	1090	1073	5.41
22	A	1075	1057	23.14
23	A	1052	1034	4.10
24	A	1025	1008	47.15
25	A	786	774	3.58
26	A	761	749	36.51
27	A	599	589	4.93
28	A	544	535	190.03
29	A	504	496	3.52
30	A	452	445	50.10
31	A	381	375	16.22
32	A	312	307	19.27
33	A	199	196	3.22
34	A	168	165	1.13
35	A	146	143	4.80
36	A	111	109	5.16

Atom	x (Å)	y (Å)	z (Å)
H1	2.531	0.683	0.128
O2	1.226	-1.333	-0.069
C3	0.754	-0.208	-0.016
N4	-0.592	0.041	-0.023
H5	1.240	1.739	0.523
N6	1.549	0.918	0.008
H7	-2.184	-1.099	-0.776
H8	-2.079	-1.032	1.012
H9	-0.872	-1.981	0.075
C10	-1.485	-1.068	0.080
H11	-1.298	1.804	0.937
H12	-2.122	1.328	-0.569
H13	-0.493	2.024	-0.658
C14	-1.141	1.357	-0.067

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4099	1.9937	3.1919	1.7146	1.0169	5.1208	4.9979	4.3226	4.3821	4.0714	4.7490	3.4000	3.7384
O2	2.4099		1.2214	2.2791	3.1290	2.2754	3.4902	3.4905	2.2009	2.7284	4.1506	4.3060	3.8171	3.5831
C3	1.9937	1.2214		1.3682	2.0782	1.3788	3.1622	3.1240	2.4073	2.4004	3.0277	3.3068	2.6358	2.4578
N4	3.1919	2.2791	1.3682		2.5569	2.3137	2.0974	2.1062	2.0435	1.4281	2.1287	2.0727	2.0843	1.4267
H5	1.7146	3.1290	2.0782	2.5569		1.0177	4.6327	4.3513	4.3014	3.9377	2.5723	3.5584	2.1162	2.4822
N6	1.0169	2.2754	1.3788	2.3137	1.0177		4.3145	4.2395	3.7776	3.6273	3.1233	3.7387	2.4159	2.7265
H7	5.1208	3.4902	3.1622	2.0974	4.6327	4.3145		1.7927	1.7952	1.1051	3.4850	2.4363	3.5527	2.7605
H8	4.9979	3.4905	3.1240	2.1062	4.3513	4.2395	1.7927		1.7985	1.1061	2.9428	2.8409	3.8267	2.7843
H9	4.3226	2.2009	2.4073	2.0435	4.3014	3.7776	1.7952	1.7985		1.0994	3.9053	3.5952	4.0888	3.3516
C10	4.3821	2.7284	2.4004	1.4281	3.9377	3.6273	1.1051	1.1061	1.0994		3.0036	2.5629	3.3301	2.4540
H11	4.0714	4.1506	3.0277	2.1287	2.5723	3.1233	3.4850	2.9428	3.9053	3.0036		1.7809	1.8001	1.1101
H12	4.7490	4.3060	3.3068	2.0727	3.5584	3.7387	2.4363	2.8409	3.5952	2.5629	1.7809		1.7736	1.1024
H13	3.4000	3.8171	2.6358	2.0843	2.1162	2.4159	3.5527	3.8267	4.0888	3.3301	1.8001	1.7736		1.1017
C14	3.7384	3.5831	2.4578	1.4267	2.4822	2.7265	2.7605	2.7843	3.3516	2.4540	1.1101	1.1024	1.1017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.766	H1	N6	H5	114.857
O2	C3	N4	123.207	O2	C3	N6	121.992
C3	N4	C10	118.269	C3	N4	C14	123.121
C3	N6	H5	119.510	N4	C3	N6	114.761
N4	C10	H7	111.148	N4	C10	H8	111.800
N4	C10	H9	107.188	N4	C14	H11	113.503
N4	C14	H12	109.405	N4	C14	H13	110.384
H7	C10	H8	108.342	H7	C10	H9	109.046
H8	C10	H9	109.272	C10	N4	C14	118.544
H11	C14	H12	107.203	H11	C14	H13	108.946
H12	C14	H13	107.162

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

using model chemistry: LSDA/6-311G*

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	0.366
2	O	-0.366
3	C	0.520
4	N	-0.320
5	H	0.354
6	N	-0.812
7	H	0.242
8	H	0.238
9	H	0.280
10	C	-0.621
11	H	0.245
12	H	0.257
13	H	0.264
14	C	-0.648

	x	y	z	Total
	-1.539	3.403	1.033	3.875
CHELPG
AIM
ESP

	x	y	z
x	9.442	0.021	-0.052
y	0.021	8.578	0.215
z	-0.052	0.215	5.623

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G*

States and conformations

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