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	hartrees
Energy at 0K	-303.522823
Energy at 298.15K	-303.532976
Nuclear repulsion energy	252.045363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3606	3557	22.60
2	A	3486	3438	11.20
3	A	3108	3065	1.02
4	A	3070	3028	8.73
5	A	3013	2971	15.24
6	A	3002	2961	55.66
7	A	2951	2910	75.16
8	A	2923	2883	70.19
9	A	1746	1722	313.27
10	A	1580	1558	123.82
11	A	1506	1485	53.86
12	A	1469	1449	15.93
13	A	1460	1440	17.93
14	A	1459	1439	13.44
15	A	1435	1415	71.73
16	A	1389	1370	103.45
17	A	1382	1363	14.22
18	A	1275	1257	24.64
19	A	1239	1222	48.77
20	A	1135	1120	2.02
21	A	1096	1081	4.23
22	A	1073	1058	58.64
23	A	1055	1040	4.10
24	A	1007	993	37.97
25	A	758	747	3.90
26	A	743	733	72.51
27	A	593	585	107.23
28	A	576	568	73.13
29	A	498	491	6.95
30	A	432	426	25.25
31	A	379	374	13.14
32	A	309	304	10.03
33	A	189	187	4.83
34	A	155	153	1.01
35	A	136	134	5.08
36	A	92	91	2.21

Atom	x (Å)	y (Å)	z (Å)
H1	2.548	0.673	0.151
O2	1.254	-1.341	-0.077
C3	0.768	-0.205	-0.015
N4	-0.598	0.040	-0.019
H5	1.286	1.711	0.604
N6	1.578	0.943	0.001
H7	-2.199	-1.117	-0.774
H8	-2.105	-1.039	1.014
H9	-0.898	-2.005	0.091
C10	-1.505	-1.090	0.086
H11	-1.410	1.786	0.928
H12	-2.122	1.333	-0.643
H13	-0.500	2.058	-0.602
C14	-1.178	1.370	-0.074

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4047	1.9919	3.2131	1.6953	1.0182	5.1569	5.0330	4.3646	4.4201	4.1841	4.7827	3.4315	3.7967
O2	2.4047		1.2368	2.3104	3.1266	2.3078	3.5294	3.5449	2.2584	2.7749	4.2290	4.3433	3.8605	3.6412
C3	1.9919	1.2368		1.3873	2.0787	1.4051	3.1953	3.1636	2.4545	2.4408	3.0978	3.3334	2.6598	2.5036
N4	3.2131	2.3104	1.3873		2.5936	2.3553	2.1151	2.1226	2.0697	1.4528	2.1463	2.0939	2.1027	1.4516
H5	1.6953	3.1266	2.0787	2.5936		1.0190	4.6947	4.3853	4.3400	3.9873	2.7161	3.6486	2.1826	2.5777
N6	1.0182	2.3078	1.4051	2.3553	1.0190		4.3712	4.3036	3.8505	3.6934	3.2398	3.7755	2.4339	2.7891
H7	5.1569	3.5294	3.1953	2.1151	4.6947	4.3712		1.7922	1.7969	1.1055	3.4571	2.4547	3.6053	2.7782
H8	5.0330	3.5449	3.1636	2.1226	4.3853	4.3036	1.7922		1.8001	1.1065	2.9113	2.8935	3.8445	2.8013
H9	4.3646	2.2584	2.4545	2.0697	4.3400	3.8505	1.7969	1.8001		1.0979	3.9158	3.6299	4.1407	3.3900
C10	4.4201	2.7749	2.4408	1.4528	3.9873	3.6934	1.1055	1.1065	1.0979		2.9984	2.6040	3.3751	2.4863
H11	4.1841	4.2290	3.0978	2.1463	2.7161	3.2398	3.4571	2.9113	3.9158	2.9984		1.7838	1.8002	1.1099
H12	4.7827	4.3433	3.3334	2.0939	3.6486	3.7755	2.4547	2.8935	3.6299	2.6040	1.7838		1.7772	1.1033
H13	3.4315	3.8605	2.6598	2.1027	2.1826	2.4339	3.6053	3.8445	4.1407	3.3751	1.8002	1.7772		1.1004
C14	3.7967	3.6412	2.5036	1.4516	2.5777	2.7891	2.7782	2.8013	3.3900	2.4863	1.1099	1.1033	1.1004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	109.534	H1	N6	H5	112.648
O2	C3	N4	123.294	O2	C3	N6	121.617
C3	N4	C10	118.486	C3	N4	C14	123.728
C3	N6	H5	117.187	N4	C3	N6	115.019
N4	C10	H7	110.801	N4	C10	H8	111.353
N4	C10	H9	107.656	N4	C14	H11	113.160
N4	C14	H12	109.322	N4	C14	H13	110.196
H7	C10	H8	108.236	H7	C10	H9	109.280
H8	C10	H9	109.493	C10	N4	C14	117.746
H11	C14	H12	107.406	H11	C14	H13	109.065
H12	C14	H13	107.502

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	0.277
2	O	-0.499
3	C	0.644
4	N	-0.403
5	H	0.258
6	N	-0.622
7	H	0.123
8	H	0.121
9	H	0.171
10	C	-0.233
11	H	0.123
12	H	0.135
13	H	0.148
14	C	-0.244

	x	y	z	Total
	-1.604	3.052	1.162	3.638
CHELPG
AIM
ESP

	x	y	z
x	9.276	-0.019	-0.042
y	-0.019	8.301	0.252
z	-0.042	0.252	5.121

<r²>	167.212
(<r²>)^1/2	12.931

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-)