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	hartrees
Energy at 0K	-303.838172
Energy at 298.15K	-303.848492
Nuclear repulsion energy	254.157381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3566	20.33
2	A	3595	3461	15.26
3	A	3177	3058	1.18
4	A	3129	3012	15.27
5	A	3084	2969	26.17
6	A	3064	2950	57.38
7	A	3015	2903	75.50
8	A	2989	2877	74.22
9	A	1793	1726	413.36
10	A	1672	1609	150.56
11	A	1555	1497	86.54
12	A	1524	1467	14.10
13	A	1515	1459	11.48
14	A	1511	1455	17.27
15	A	1488	1433	66.95
16	A	1443	1389	77.58
17	A	1438	1385	77.31
18	A	1319	1270	27.34
19	A	1283	1235	49.69
20	A	1175	1131	2.37
21	A	1135	1092	3.80
22	A	1115	1073	59.10
23	A	1091	1051	10.29
24	A	1040	1001	34.26
25	A	787	758	53.99
26	A	780	751	10.39
27	A	606	583	27.42
28	A	585	563	183.67
29	A	516	497	6.88
30	A	448	431	38.00
31	A	392	377	12.55
32	A	315	303	11.20
33	A	198	191	5.67
34	A	160	154	1.51
35	A	131	126	4.91
36	A	97	94	2.62

Atom	x (Å)	y (Å)	z (Å)
H1	2.539	0.664	0.148
O2	1.233	-1.336	-0.073
C3	0.760	-0.213	-0.016
N4	-0.590	0.041	-0.023
H5	1.280	1.709	0.553
N6	1.573	0.916	0.005
H7	-2.188	-1.098	-0.777
H8	-2.111	-1.002	0.998
H9	-0.930	-1.991	0.104
C10	-1.509	-1.070	0.083
H11	-0.519	2.034	-0.666
H12	-1.294	1.814	0.927
H13	-2.128	1.332	-0.556
C14	-1.150	1.372	-0.070

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3988	1.9902	3.1951	1.6854	1.0078	5.1284	5.0118	4.3688	4.4042	3.4474	4.0763	4.7668	3.7623
O2	2.3988		1.2192	2.2852	3.1093	2.2783	3.5005	3.5269	2.2672	2.7591	3.8434	4.1598	4.3182	3.6067
C3	1.9902	1.2192		1.3742	2.0715	1.3914	3.1705	3.1452	2.4559	2.4275	2.6658	3.0359	3.3200	2.4827
N4	3.1951	2.2852	1.3742		2.5717	2.3337	2.1018	2.1076	2.0640	1.4458	2.0951	2.1306	2.0775	1.4443
H5	1.6854	3.1093	2.0715	2.5717		1.0080	4.6557	4.3645	4.3335	3.9657	2.1969	2.6030	3.6042	2.5315
N6	1.0078	2.2783	1.3914	2.3337	1.0080		4.3372	4.2702	3.8373	3.6674	2.4651	3.1425	3.7670	2.7622
H7	5.1284	3.5005	3.1705	2.1018	4.6557	4.3372		1.7790	1.7766	1.0961	3.5502	3.4899	2.4403	2.7701
H8	5.0118	3.5269	3.1452	2.1076	4.3645	4.2702	1.7790		1.7803	1.0970	3.8103	2.9330	2.8038	2.7746
H9	4.3688	2.2672	2.4559	2.0640	4.3335	3.8373	1.7766	1.7803		1.0875	4.1182	3.9095	3.5933	3.3742
C10	4.4042	2.7591	2.4275	1.4458	3.9657	3.6674	1.0961	1.0970	1.0875		3.3431	3.0127	2.5617	2.4729
H11	3.4474	3.8434	2.6658	2.0951	2.1969	2.4651	3.5502	3.8103	4.1182	3.3431		1.7848	1.7595	1.0915
H12	4.0763	4.1598	3.0359	2.1306	2.6030	3.1425	3.4899	2.9330	3.9095	3.0127	1.7848		1.7682	1.1003
H13	4.7668	4.3182	3.3200	2.0775	3.6042	3.7670	2.4403	2.8038	3.5933	2.5617	1.7595	1.7682		1.0928
C14	3.7623	3.6067	2.4827	1.4443	2.5315	2.7622	2.7701	2.7746	3.3742	2.4729	1.0915	1.1003	1.0928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.086	H1	N6	H5	113.464
O2	C3	N4	123.451	O2	C3	N6	121.401
C3	N4	C10	118.804	C3	N4	C14	123.473
C3	N6	H5	118.519	N4	C3	N6	115.097
N4	C10	H7	110.809	N4	C10	H8	111.220
N4	C10	H9	108.297	N4	C14	H11	110.646
N4	C14	H12	113.021	N4	C14	H13	109.154
H7	C10	H8	108.420	H7	C10	H9	108.893
H8	C10	H9	109.161	C10	N4	C14	117.663
H11	C14	H12	109.032	H11	C14	H13	107.318
H12	C14	H13	107.465

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

using model chemistry: B3PW91/6-311G*

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	0.357
2	O	-0.418
3	C	0.599
4	N	-0.371
5	H	0.345
6	N	-0.820
7	H	0.221
8	H	0.217
9	H	0.267
10	C	-0.541
11	H	0.247
12	H	0.222
13	H	0.235
14	C	-0.560

	x	y	z	Total
	-1.719	3.316	1.143	3.906
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	165.165
(<r²>)^1/2	12.852

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

using model chemistry: B3PW91/6-311G*

States and conformations

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