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	hartrees
Energy at 0K	-303.800647
Energy at 298.15K	-303.810982
Nuclear repulsion energy	254.275960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3722	3529	28.88
2	A	3610	3423	21.98
3	A	3217	3050	0.43
4	A	3171	3007	10.25
5	A	3121	2960	19.46
6	A	3107	2946	50.07
7	A	3054	2896	68.05
8	A	3030	2874	63.04
9	A	1828	1734	388.25
10	A	1671	1585	146.78
11	A	1576	1494	82.18
12	A	1542	1463	14.99
13	A	1533	1454	14.00
14	A	1530	1451	17.42
15	A	1509	1431	79.08
16	A	1465	1389	115.45
17	A	1456	1380	12.40
18	A	1340	1270	30.04
19	A	1298	1231	50.55
20	A	1188	1126	2.74
21	A	1147	1088	3.86
22	A	1128	1070	52.41
23	A	1103	1046	7.62
24	A	1055	1000	36.48
25	A	793	752	25.18
26	A	790	749	64.50
27	A	615	583	109.13
28	A	602	570	89.33
29	A	518	492	7.71
30	A	451	428	33.28
31	A	394	374	13.51
32	A	318	302	9.96
33	A	199	188	6.66
34	A	158	150	1.47
35	A	135	128	5.34
36	A	96	91	2.43

Atom	x (Å)	y (Å)	z (Å)
H1	2.535	0.661	0.146
O2	1.235	-1.333	-0.078
C3	0.759	-0.209	-0.016
N4	-0.590	0.041	-0.013
H5	1.281	1.699	0.580
N6	1.570	0.921	0.005
H7	-2.172	-1.105	-0.784
H8	-2.116	-1.003	0.991
H9	-0.915	-1.989	0.115
C10	-1.503	-1.073	0.084
H11	-0.504	2.032	-0.646
H12	-1.335	1.804	0.918
H13	-2.117	1.322	-0.595
C14	-1.155	1.367	-0.076

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3912	1.9838	3.1898	1.6845	1.0094	5.1122	5.0112	4.3503	4.3946	3.4263	4.1079	4.7562	3.7632
O2	2.3912		1.2226	2.2855	3.1031	2.2808	3.4862	3.5327	2.2559	2.7545	3.8301	4.1758	4.3068	3.6059
C3	1.9838	1.2226		1.3722	2.0653	1.3908	3.1596	3.1481	2.4474	2.4234	2.6483	3.0508	3.3088	2.4800
N4	3.1898	2.2855	1.3722		2.5690	2.3324	2.0997	2.1041	2.0601	1.4436	2.0909	2.1283	2.0758	1.4425
H5	1.6845	3.1031	2.0653	2.5690		1.0093	4.6519	4.3596	4.3172	3.9595	2.1906	2.6393	3.6144	2.5441
N6	1.0094	2.2808	1.3908	2.3324	1.0093		4.3274	4.2731	3.8284	3.6639	2.4407	3.1700	3.7563	2.7622
H7	5.1122	3.4862	3.1596	2.0997	4.6519	4.3274		1.7790	1.7802	1.0966	3.5555	3.4728	2.4349	2.7652
H8	5.0112	3.5327	3.1481	2.1041	4.3596	4.2731	1.7790		1.7839	1.0971	3.8069	2.9146	2.8144	2.7709
H9	4.3503	2.2559	2.4474	2.0601	4.3172	3.8284	1.7802	1.7839		1.0885	4.1132	3.8999	3.5932	3.3700
C10	4.3946	2.7545	2.4234	1.4436	3.9595	3.6639	1.0966	1.0971	1.0885		3.3428	3.0005	2.5643	2.4701
H11	3.4263	3.8301	2.6483	2.0909	2.1906	2.4407	3.5555	3.8069	4.1132	3.3428		1.7862	1.7631	1.0920
H12	4.1079	4.1758	3.0508	2.1283	2.6393	3.1700	3.4728	2.9146	3.8999	3.0005	1.7862		1.7700	1.1003
H13	4.7562	4.3068	3.3088	2.0758	3.6144	3.7563	2.4349	2.8144	3.5932	2.5643	1.7631	1.7700		1.0938
C14	3.7632	3.6059	2.4800	1.4425	2.5441	2.7622	2.7652	2.7709	3.3700	2.4701	1.0920	1.1003	1.0938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.479	H1	N6	H5	113.113
O2	C3	N4	123.375	O2	C3	N6	121.419
C3	N4	C10	118.751	C3	N4	C14	123.529
C3	N6	H5	117.867	N4	C3	N6	115.158
N4	C10	H7	110.760	N4	C10	H8	111.080
N4	C10	H9	108.072	N4	C14	H11	110.408
N4	C14	H12	112.958	N4	C14	H13	109.082
H7	C10	H8	108.379	H7	C10	H9	109.114
H8	C10	H9	109.409	C10	N4	C14	117.707
H11	C14	H12	109.126	H11	C14	H13	107.531
H12	C14	H13	107.554

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

using model chemistry: mPW1PW91/6-31G*

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	0.361
2	O	-0.544
3	C	0.737
4	N	-0.453
5	H	0.345
6	N	-0.814
7	H	0.173
8	H	0.171
9	H	0.232
10	C	-0.381
11	H	0.204
12	H	0.173
13	H	0.191
14	C	-0.395

	x	y	z	Total
	-1.706	3.227	1.199	3.842
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>	164.643
(<r²>)^1/2	12.831

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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