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	hartrees
Energy at 0K	-302.207605
Energy at 298.15K	-302.217809
Nuclear repulsion energy	251.842242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3682	3542	28.77
2	A	3559	3424	25.78
3	A	3161	3041	0.74
4	A	3114	2995	16.73
5	A	3073	2957	25.15
6	A	3064	2948	53.60
7	A	3021	2907	64.52
8	A	2992	2878	64.08
9	A	1730	1664	264.83
10	A	1668	1605	106.64
11	A	1590	1530	27.15
12	A	1577	1517	11.90
13	A	1572	1512	9.66
14	A	1564	1505	19.23
15	A	1510	1452	62.82
16	A	1464	1409	28.82
17	A	1413	1359	219.73
18	A	1285	1236	104.63
19	A	1276	1228	4.08
20	A	1184	1139	3.93
21	A	1143	1099	4.45
22	A	1098	1057	12.91
23	A	1078	1037	39.57
24	A	1020	982	51.56
25	A	782	753	65.35
26	A	750	722	2.29
27	A	598	576	5.66
28	A	542	522	92.85
29	A	509	490	20.50
30	A	425	409	74.43
31	A	374	360	70.54
32	A	299	288	57.81
33	A	202	194	3.97
34	A	161	155	3.07
35	A	151	145	0.84
36	A	78	75	12.34

Atom	x (Å)	y (Å)	z (Å)
H1	2.568	0.758	0.032
O2	1.247	-1.352	-0.083
C3	0.770	-0.204	-0.012
N4	-0.597	0.046	-0.004
H5	1.239	1.827	0.360
N6	1.570	0.924	0.054
H7	-2.199	-1.116	-0.766
H8	-2.074	-1.104	1.015
H9	-0.867	-1.997	0.039
C10	-1.499	-1.109	0.079
H11	-0.577	2.024	-0.734
H12	-1.265	1.872	0.910
H13	-2.180	1.316	-0.504
C14	-1.176	1.387	-0.075

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4912	2.0393	3.2442	1.7368	1.0115	5.1834	5.0963	4.4029	4.4749	3.4753	4.0863	4.8104	3.7977
O2	2.4912		1.2452	2.3153	3.2097	2.3022	3.5214	3.5063	2.2139	2.7618	3.8919	4.2056	4.3634	3.6571
C3	2.0393	1.2452		1.3896	2.1176	1.3842	3.1960	3.1542	2.4284	2.4445	2.7016	3.0491	3.3546	2.5143
N4	3.2442	2.3153	1.3896		2.5846	2.3392	2.1200	2.1305	2.0607	1.4673	2.1092	2.1486	2.0903	1.4630
H5	1.7368	3.2097	2.1176	2.5846		1.0099	4.6637	4.4716	4.3777	4.0248	2.1295	2.5637	3.5638	2.4932
N6	1.0115	2.3022	1.3842	2.3392	1.0099		4.3632	4.2790	3.8039	3.6813	2.5381	3.1092	3.8118	2.7879
H7	5.1834	3.5214	3.1960	2.1200	4.6637	4.3632		1.7853	1.7888	1.0972	3.5342	3.5507	2.4453	2.7907
H8	5.0963	3.5063	3.1542	2.1305	4.4716	4.2790	1.7853		1.7903	1.0982	3.8840	3.0858	2.8592	2.8636
H9	4.4029	2.2139	2.4284	2.0607	4.3777	3.8039	1.7888	1.7903		1.0908	4.1051	3.9856	3.6047	3.4003
C10	4.4749	2.7618	2.4445	1.4673	4.0248	3.6813	1.0972	1.0982	1.0908		3.3658	3.1035	2.5852	2.5218
H11	3.4753	3.8919	2.7016	2.1092	2.1295	2.5381	3.5342	3.8840	4.1051	3.3658		1.7890	1.7679	1.0952
H12	4.0863	4.2056	3.0491	2.1486	2.5637	3.1092	3.5507	3.0858	3.9856	3.1035	1.7890		1.7743	1.1013
H13	4.8104	4.3634	3.3546	2.0903	3.5638	3.8118	2.4453	2.8592	3.6047	2.5852	1.7679	1.7743		1.0944
C14	3.7977	3.6571	2.5143	1.4630	2.4932	2.7879	2.7907	2.8636	3.4003	2.5218	1.0952	1.1013	1.0944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	115.824	H1	N6	H5	118.461
O2	C3	N4	122.881	O2	C3	N6	122.130
C3	N4	C10	117.635	C3	N4	C14	123.600
C3	N6	H5	123.632	N4	C3	N6	114.987
N4	C10	H7	110.691	N4	C10	H8	111.478
N4	C10	H9	106.396	N4	C14	H11	110.246
N4	C14	H12	113.080	N4	C14	H13	108.784
H7	C10	H8	108.818	H7	C10	H9	109.680
H8	C10	H9	109.749	C10	N4	C14	118.765
H11	C14	H12	109.065	H11	C14	H13	107.681
H12	C14	H13	107.815

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

using model chemistry: B3LYP/3-21G*

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	0.317
2	O	-0.539
3	C	0.885
4	N	-0.652
5	H	0.307
6	N	-0.777
7	H	0.186
8	H	0.186
9	H	0.242
10	C	-0.377
11	H	0.202
12	H	0.189
13	H	0.211
14	C	-0.380

	x	y	z	Total
	-1.405	3.668	0.564	3.968
CHELPG
AIM
ESP

	x	y	z
x	7.916	0.040	-0.110
y	0.040	7.282	0.209
z	-0.110	0.209	4.081

<r²>	167.306
(<r²>)^1/2	12.935

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

using model chemistry: B3LYP/3-21G*

States and conformations

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