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	hartrees
Energy at 0K	-302.382802
Energy at 298.15K	-302.393054
Nuclear repulsion energy	255.467889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3572	45.07
2	A	3498	3455	25.21
3	A	3064	3026	1.52
4	A	3040	3002	5.30
5	A	2994	2957	5.26
6	A	2984	2947	51.18
7	A	2931	2895	69.49
8	A	2901	2865	65.33
9	A	1773	1751	375.15
10	A	1550	1531	289.64
11	A	1500	1482	77.59
12	A	1434	1416	21.90
13	A	1427	1409	24.30
14	A	1423	1405	24.41
15	A	1413	1396	39.16
16	A	1377	1360	16.08
17	A	1348	1332	41.80
18	A	1321	1305	5.45
19	A	1247	1232	38.24
20	A	1123	1109	2.62
21	A	1080	1066	4.16
22	A	1060	1047	17.80
23	A	1042	1029	3.53
24	A	1018	1005	50.27
25	A	783	773	3.11
26	A	758	748	30.84
27	A	597	590	5.00
28	A	527	521	161.52
29	A	501	494	5.27
30	A	435	430	48.59
31	A	377	373	21.08
32	A	314	310	21.63
33	A	195	192	2.93
34	A	167	165	0.93
35	A	149	148	4.92
36	A	110	108	4.93

Atom	x (Å)	y (Å)	z (Å)
H1	2.532	0.685	0.129
O2	1.226	-1.331	-0.064
C3	0.754	-0.205	-0.015
N4	-0.592	0.041	-0.021
H5	1.233	1.749	0.500
N6	1.551	0.919	0.004
H7	-2.180	-1.098	-0.780
H8	-2.072	-1.047	1.009
H9	-0.859	-1.981	0.061
C10	-1.481	-1.073	0.075
H11	-1.341	1.785	0.943
H12	-2.111	1.329	-0.598
H13	-0.483	2.034	-0.621
C14	-1.147	1.356	-0.062

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4088	1.9928	3.1924	1.7193	1.0168	5.1194	4.9966	4.3136	4.3810	4.1076	4.7429	3.3868	3.7448
O2	2.4088		1.2217	2.2781	3.1305	2.2744	3.4892	3.4799	2.1882	2.7230	4.1611	4.3003	3.8145	3.5850
C3	1.9928	1.2217		1.3683	2.0763	1.3779	3.1616	3.1217	2.4006	2.3995	3.0445	3.3015	2.6285	2.4606
N4	3.1924	2.2781	1.3683		2.5527	2.3151	2.0972	2.1066	2.0414	1.4292	2.1289	2.0729	2.0832	1.4275
H5	1.7193	3.1305	2.0763	2.5527		1.0171	4.6254	4.3587	4.2987	3.9382	2.6123	3.5446	2.0696	2.4776
N6	1.0168	2.2744	1.3779	2.3151	1.0171		4.3132	4.2426	3.7711	3.6283	3.1610	3.7327	2.4013	2.7338
H7	5.1194	3.4892	3.1616	2.0972	4.6254	4.3132		1.7931	1.7980	1.1049	3.4618	2.4340	3.5653	2.7570
H8	4.9966	3.4799	3.1217	2.1066	4.3587	4.2426	1.7931		1.8001	1.1058	2.9259	2.8685	3.8303	2.7883
H9	4.3136	2.1882	2.4006	2.0414	4.2987	3.7711	1.7980	1.8001		1.0999	3.8976	3.5987	4.0890	3.3509
C10	4.3810	2.7230	2.3995	1.4292	3.9382	3.6283	1.1049	1.1058	1.0999		2.9907	2.5725	3.3364	2.4554
H11	4.1076	4.1611	3.0445	2.1289	2.6123	3.1610	3.4618	2.9259	3.8976	2.9907		1.7820	1.8007	1.1098
H12	4.7429	4.3003	3.3015	2.0729	3.5446	3.7327	2.4340	2.8685	3.5987	2.5725	1.7820		1.7739	1.1026
H13	3.3868	3.8145	2.6285	2.0832	2.0696	2.4013	3.5653	3.8303	4.0890	3.3364	1.8007	1.7739		1.1015
C14	3.7448	3.5850	2.4606	1.4275	2.4776	2.7338	2.7570	2.7883	3.3509	2.4554	1.1098	1.1026	1.1015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.759	H1	N6	H5	115.417
O2	C3	N4	123.083	O2	C3	N6	121.955
C3	N4	C10	118.117	C3	N4	C14	123.299
C3	N6	H5	119.446	N4	C3	N6	114.924
N4	C10	H7	111.060	N4	C10	H8	111.769
N4	C10	H9	106.919	N4	C14	H11	113.484
N4	C14	H12	109.355	N4	C14	H13	110.250
H7	C10	H8	108.400	H7	C10	H9	109.267
H8	C10	H9	109.388	C10	N4	C14	118.529
H11	C14	H12	107.306	H11	C14	H13	109.036
H12	C14	H13	107.180

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	0.249
2	O	-0.368
3	C	0.444
4	N	-0.388
5	H	0.234
6	N	-0.505
7	H	0.152
8	H	0.149
9	H	0.181
10	C	-0.306
11	H	0.158
12	H	0.160
13	H	0.164
14	C	-0.324

	x	y	z	Total
	-1.552	3.414	0.953	3.870
CHELPG
AIM
ESP

	x	y	z
x	9.586	0.021	-0.039
y	0.021	8.720	0.198
z	-0.039	0.198	5.711

<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-)