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	hartrees
Energy at 0K	-303.857799
Energy at 298.15K	-303.867909
Nuclear repulsion energy	251.030494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3557	3543	17.32
2	A	3452	3439	8.56
3	A	3075	3063	2.12
4	A	3035	3023	13.03
5	A	2980	2968	32.24
6	A	2959	2948	59.87
7	A	2922	2910	81.40
8	A	2891	2880	81.31
9	A	1691	1685	338.19
10	A	1585	1579	110.32
11	A	1496	1491	32.25
12	A	1472	1467	11.86
13	A	1464	1458	6.68
14	A	1463	1457	17.42
15	A	1434	1428	39.88
16	A	1395	1390	10.95
17	A	1365	1359	172.40
18	A	1235	1230	66.53
19	A	1224	1219	15.82
20	A	1134	1129	2.50
21	A	1095	1090	2.96
22	A	1062	1058	75.54
23	A	1047	1043	22.83
24	A	982	978	32.19
25	A	742	739	60.54
26	A	733	731	2.42
27	A	586	584	103.13
28	A	568	565	76.76
29	A	497	495	7.97
30	A	420	418	24.01
31	A	378	377	14.04
32	A	307	305	10.11
33	A	186	186	4.33
34	A	152	151	1.20
35	A	131	131	4.38
36	A	86	85	1.91

Atom	x (Å)	y (Å)	z (Å)
H1	2.566	0.667	0.149
O2	1.251	-1.348	-0.076
C3	0.771	-0.214	-0.015
N4	-0.597	0.042	-0.022
H5	1.307	1.714	0.589
N6	1.596	0.934	0.002
H7	-2.215	-1.108	-0.775
H8	-2.123	-1.027	1.010
H9	-0.936	-2.010	0.094
C10	-1.525	-1.089	0.085
H11	-0.504	2.069	-0.606
H12	-1.391	1.800	0.931
H13	-2.125	1.350	-0.628
C14	-1.176	1.386	-0.073

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4170	2.0063	3.2295	1.6953	1.0174	5.1829	5.0600	4.4091	4.4527	3.4592	4.1902	4.8042	3.8175
O2	2.4170		1.2335	2.3136	3.1338	2.3092	3.5441	3.5597	2.2918	2.7930	3.8787	4.2320	4.3576	3.6566
C3	2.0063	1.2335		1.3922	2.0896	1.4131	3.2083	3.1764	2.4809	2.4593	2.6813	3.1027	3.3483	2.5210
N4	3.2295	2.3136	1.3922		2.6069	2.3677	2.1224	2.1293	2.0830	1.4662	2.1122	2.1518	2.1011	1.4647
H5	1.6953	3.1338	2.0896	2.6069		1.0179	4.7143	4.4109	4.3757	4.0162	2.1991	2.7215	3.6596	2.5909
N6	1.0174	2.3092	1.4131	2.3677	1.0179		4.3920	4.3233	3.8842	3.7197	2.4636	3.2460	3.7966	2.8096
H7	5.1829	3.5441	3.2083	2.1224	4.7143	4.3920		1.7895	1.7902	1.1026	3.6121	3.4707	2.4643	2.7913
H8	5.0600	3.5597	3.1764	2.1293	4.4109	4.3233	1.7895		1.7935	1.1037	3.8492	2.9209	2.8865	2.8088
H9	4.4091	2.2918	2.4809	2.0830	4.3757	3.8842	1.7902	1.7935		1.0936	4.1618	3.9278	3.6373	3.4090
C10	4.4527	2.7930	2.4593	1.4662	4.0162	3.7197	1.1026	1.1037	1.0936		3.3901	3.0134	2.6112	2.5044
H11	3.4592	3.8787	2.6813	2.1122	2.1991	2.4636	3.6121	3.8492	4.1618	3.3901		1.7950	1.7731	1.0967
H12	4.1902	4.2320	3.1027	2.1518	2.7215	3.2460	3.4707	2.9209	3.9278	3.0134	1.7950		1.7808	1.1069
H13	4.8042	4.3576	3.3483	2.1011	3.6596	3.7966	2.4643	2.8865	3.6373	2.6112	1.7731	1.7808		1.0999
C14	3.8175	3.6566	2.5210	1.4647	2.5909	2.8096	2.7913	2.8088	3.4090	2.5044	1.0967	1.1069	1.0999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.215	H1	N6	H5	112.807
O2	C3	N4	123.444	O2	C3	N6	121.359
C3	N4	C10	118.690	C3	N4	C14	123.854
C3	N6	H5	117.620	N4	C3	N6	115.128
N4	C10	H7	110.631	N4	C10	H8	111.113
N4	C10	H9	108.045	N4	C14	H11	110.282
N4	C14	H12	112.862	N4	C14	H13	109.195
H7	C10	H8	108.402	H7	C10	H9	109.210
H8	C10	H9	109.417	C10	N4	C14	117.404
H11	C14	H12	109.092	H11	C14	H13	107.645
H12	C14	H13	107.598

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

using model chemistry: BLYP/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	0.214
2	O	-0.369
3	C	0.420
4	N	-0.365
5	H	0.202
6	N	-0.440
7	H	0.106
8	H	0.102
9	H	0.138
10	C	-0.168
11	H	0.121
12	H	0.106
13	H	0.113
14	C	-0.178

	x	y	z	Total
	-1.688	3.119	1.090	3.710
CHELPG
AIM
ESP

	x	y	z
x	9.795	0.005	-0.019
y	0.005	8.880	0.226
z	-0.019	0.226	5.696

<r²>	169.254
(<r²>)^1/2	13.010

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

using model chemistry: BLYP/6-311G**

States and conformations

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