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	hartrees
Energy at 0K	-303.508678
Energy at 298.15K	-303.518849
Nuclear repulsion energy	251.965036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3578	3526	19.95
2	A	3464	3415	10.00
3	A	3112	3068	1.03
4	A	3072	3028	8.95
5	A	3014	2971	18.70
6	A	3002	2959	54.73
7	A	2954	2912	75.32
8	A	2925	2883	71.58
9	A	1749	1724	311.22
10	A	1608	1585	112.39
11	A	1518	1496	45.88
12	A	1486	1465	16.45
13	A	1477	1456	20.23
14	A	1476	1455	9.56
15	A	1448	1427	67.11
16	A	1399	1379	114.57
17	A	1397	1377	22.19
18	A	1279	1260	25.80
19	A	1246	1228	47.76
20	A	1144	1128	2.11
21	A	1104	1089	4.74
22	A	1084	1068	66.36
23	A	1061	1046	4.77
24	A	1010	996	36.54
25	A	760	749	13.12
26	A	752	741	84.07
27	A	607	598	147.10
28	A	579	571	25.88
29	A	499	492	7.72
30	A	438	432	25.36
31	A	380	375	12.02
32	A	308	304	8.92
33	A	190	187	4.89
34	A	158	155	1.20
35	A	136	134	5.07
36	A	94	93	2.15

Atom	x (Å)	y (Å)	z (Å)
H1	2.549	0.672	0.153
O2	1.254	-1.342	-0.079
C3	0.767	-0.207	-0.015
N4	-0.598	0.040	-0.020
H5	1.289	1.704	0.617
N6	1.578	0.943	0.001
H7	-2.202	-1.114	-0.774
H8	-2.110	-1.030	1.016
H9	-0.904	-2.005	0.097
C10	-1.508	-1.087	0.088
H11	-1.400	1.791	0.927
H12	-2.124	1.332	-0.640
H13	-0.497	2.055	-0.611
C14	-1.175	1.370	-0.077

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4066	1.9946	3.2148	1.6940	1.0200	5.1602	5.0351	4.3703	4.4232	4.1767	4.7858	3.4317	3.7961
O2	2.4066		1.2365	2.3112	3.1255	2.3096	3.5322	3.5514	2.2646	2.7790	4.2274	4.3445	3.8587	3.6411
C3	1.9946	1.2365		1.3872	2.0799	1.4074	3.1960	3.1651	2.4571	2.4418	3.0945	3.3345	2.6593	2.5030
N4	3.2148	2.3112	1.3872		2.5952	2.3556	2.1150	2.1225	2.0706	1.4526	2.1462	2.0936	2.1024	1.4516
H5	1.6940	3.1255	2.0799	2.5952		1.0210	4.6971	4.3802	4.3401	3.9866	2.7074	3.6556	2.1953	2.5809
N6	1.0200	2.3096	1.4074	2.3556	1.0210		4.3726	4.3037	3.8548	3.6948	3.2312	3.7768	2.4323	2.7866
H7	5.1602	3.5322	3.1960	2.1150	4.6971	4.3726		1.7943	1.7986	1.1066	3.4605	2.4510	3.6023	2.7775
H8	5.0351	3.5514	3.1651	2.1225	4.3802	4.3037	1.7943		1.8019	1.1076	2.9104	2.8849	3.8427	2.7985
H9	4.3703	2.2646	2.4571	2.0706	4.3401	3.8548	1.7986	1.8019		1.0986	3.9165	3.6281	4.1409	3.3903
C10	4.4232	2.7790	2.4418	1.4526	3.9866	3.6948	1.1066	1.1076	1.0986		2.9995	2.5999	3.3737	2.4853
H11	4.1767	4.2274	3.0945	2.1462	2.7074	3.2312	3.4605	2.9104	3.9165	2.9995		1.7861	1.8025	1.1110
H12	4.7858	4.3445	3.3345	2.0936	3.6556	3.7768	2.4510	2.8849	3.6281	2.5999	1.7861		1.7804	1.1043
H13	3.4317	3.8587	2.6593	2.1024	2.1953	2.4323	3.6023	3.8427	4.1409	3.3737	1.8025	1.7804		1.1014
C14	3.7961	3.6411	2.5030	1.4516	2.5809	2.7866	2.7775	2.7985	3.3903	2.4853	1.1110	1.1043	1.1014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.477	H1	N6	H5	112.199
O2	C3	N4	123.402	O2	C3	N6	121.619
C3	N4	C10	118.581	C3	N4	C14	123.688
C3	N6	H5	116.960	N4	C3	N6	114.904
N4	C10	H7	110.746	N4	C10	H8	111.291
N4	C10	H9	107.699	N4	C14	H11	113.088
N4	C14	H12	109.243	N4	C14	H13	110.120
H7	C10	H8	108.266	H7	C10	H9	109.301
H8	C10	H9	109.517	C10	N4	C14	117.688
H11	C14	H12	107.461	H11	C14	H13	109.116
H12	C14	H13	107.637

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

using model chemistry: PBEPBE/6-31G*

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	0.336
2	O	-0.495
3	C	0.639
4	N	-0.366
5	H	0.320
6	N	-0.745
7	H	0.161
8	H	0.158
9	H	0.214
10	C	-0.368
11	H	0.160
12	H	0.176
13	H	0.190
14	C	-0.381

	x	y	z	Total
	-1.615	3.022	1.214	3.635
CHELPG
AIM
ESP

	x	y	z
x	9.178	-0.025	-0.050
y	-0.025	8.194	0.257
z	-0.050	0.257	5.049

<r²>	167.294
(<r²>)^1/2	12.934

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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