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	hartrees
Energy at 0K	-303.584638
Energy at 298.15K	-303.594835
Nuclear repulsion energy	252.401845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3589	3552	15.67
2	A	3479	3443	7.40
3	A	3095	3062	1.52
4	A	3052	3020	13.36
5	A	3002	2971	26.62
6	A	2984	2953	61.60
7	A	2938	2907	82.83
8	A	2907	2876	82.70
9	A	1730	1712	348.47
10	A	1619	1603	130.78
11	A	1508	1492	60.79
12	A	1477	1461	15.77
13	A	1468	1453	14.34
14	A	1465	1450	14.18
15	A	1438	1423	58.97
16	A	1392	1378	27.95
17	A	1387	1372	124.74
18	A	1272	1259	22.21
19	A	1242	1229	46.19
20	A	1138	1126	2.11
21	A	1099	1088	4.55
22	A	1079	1067	68.50
23	A	1057	1046	7.09
24	A	1005	994	34.59
25	A	757	749	2.46
26	A	752	744	65.09
27	A	594	588	121.38
28	A	577	571	77.89
29	A	500	495	6.81
30	A	439	434	29.13
31	A	381	377	10.81
32	A	307	303	10.01
33	A	191	189	4.20
34	A	162	160	1.55
35	A	133	131	4.87
36	A	98	97	2.15

Atom	x (Å)	y (Å)	z (Å)
H1	2.549	0.675	0.151
O2	1.248	-1.343	-0.075
C3	0.766	-0.212	-0.016
N4	-0.596	0.040	-0.027
H5	1.284	1.713	0.589
N6	1.577	0.934	0.003
H7	-2.209	-1.107	-0.770
H8	-2.107	-1.022	1.017
H9	-0.920	-2.003	0.093
C10	-1.512	-1.081	0.087
H11	-1.344	1.805	0.933
H12	-2.134	1.338	-0.593
H13	-0.511	2.049	-0.641
C14	-1.165	1.373	-0.072

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4117	1.9984	3.2139	1.6940	1.0165	5.1635	5.0309	4.3832	4.4255	4.1287	4.7886	3.4467	3.7859
O2	2.4117		1.2308	2.3055	3.1271	2.3016	3.5340	3.5428	2.2731	2.7778	4.2006	4.3471	3.8629	3.6335
C3	1.9984	1.2308		1.3855	2.0826	1.4039	3.1970	3.1585	2.4624	2.4409	3.0694	3.3392	2.6714	2.4993
N4	3.2139	2.3055	1.3855		2.5909	2.3504	2.1133	2.1212	2.0714	1.4519	2.1441	2.0909	2.1031	1.4507
H5	1.6940	3.1271	2.0826	2.5909		1.0176	4.6896	4.3771	4.3483	3.9843	2.6520	3.6364	2.2014	2.5591
N6	1.0165	2.3016	1.4039	2.3504	1.0176		4.3699	4.2925	3.8561	3.6894	3.1871	3.7812	2.4536	2.7783
H7	5.1635	3.5340	3.1970	2.1133	4.6896	4.3699		1.7911	1.7911	1.1040	3.4818	2.4518	3.5862	2.7796
H8	5.0309	3.5428	3.1585	2.1212	4.3771	4.2925	1.7911		1.7947	1.1052	2.9294	2.8569	3.8380	2.7952
H9	4.3832	2.2731	2.4624	2.0714	4.3483	3.8561	1.7911	1.7947		1.0956	3.9219	3.6199	4.1384	3.3890
C10	4.4255	2.7778	2.4409	1.4519	3.9843	3.6894	1.1040	1.1052	1.0956		3.0119	2.5881	3.3662	2.4838
H11	4.1287	4.2006	3.0694	2.1441	2.6520	3.1871	3.4818	2.9294	3.9219	3.0119		1.7812	1.7977	1.1088
H12	4.7886	4.3471	3.3392	2.0909	3.6364	3.7812	2.4518	2.8569	3.6199	2.5881	1.7812		1.7735	1.1012
H13	3.4467	3.8629	2.6714	2.1031	2.2014	2.4536	3.5862	3.8380	4.1384	3.3662	1.7977	1.7735		1.0991
C14	3.7859	3.6335	2.4993	1.4507	2.5591	2.7783	2.7796	2.7952	3.3890	2.4838	1.1088	1.1012	1.0991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.284	H1	N6	H5	112.773
O2	C3	N4	123.474	O2	C3	N6	121.622
C3	N4	C10	118.670	C3	N4	C14	123.559
C3	N6	H5	117.765	N4	C3	N6	114.832
N4	C10	H7	110.814	N4	C10	H8	111.379
N4	C10	H9	107.986	N4	C14	H11	113.124
N4	C14	H12	109.278	N4	C14	H13	110.382
H7	C10	H8	108.339	H7	C10	H9	109.027
H8	C10	H9	109.261	C10	N4	C14	117.679
H11	C14	H12	107.412	H11	C14	H13	109.023
H12	C14	H13	107.425

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

using model chemistry: PBEPBE/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	0.341
2	O	-0.371
3	C	0.522
4	N	-0.317
5	H	0.331
6	N	-0.773
7	H	0.216
8	H	0.212
9	H	0.254
10	C	-0.539
11	H	0.215
12	H	0.228
13	H	0.240
14	C	-0.558

	x	y	z	Total
	-1.633	3.143	1.157	3.726
CHELPG
AIM
ESP

	x	y	z
x	9.564	-0.006	-0.041
y	-0.006	8.665	0.228
z	-0.041	0.228	5.599

<r²>	167.272
(<r²>)^1/2	12.933

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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