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	hartrees
Energy at 0K	-209.302818
Energy at 298.15K
Nuclear repulsion energy	121.757799

Atom	x (Å)	y (Å)	z (Å)
C1	-1.371	-0.297	-0.000
C2	0.079	0.152	0.000
N3	0.994	-0.861	-0.000
O4	0.410	1.321	0.000
H5	-2.009	0.580	-0.003
H6	-1.588	-0.905	-0.880
H7	-1.589	-0.900	0.884
H8	1.971	-0.623	0.000
H9	0.728	-1.828	-0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5175	2.4311	2.4064	1.0853	1.0914	1.0914	3.3575	2.5974
C2	1.5175		1.3654	1.2152	2.1313	2.1608	2.1608	2.0450	2.0836
N3	2.4311	1.3654		2.2591	3.3312	2.7283	2.7308	1.0051	1.0030
O4	2.4064	1.2152	2.2591		2.5299	3.1179	3.1161	2.4939	3.1652
H5	1.0853	2.1313	3.3312	2.5299		1.7755	1.7755	4.1581	3.6455
H6	1.0914	2.1608	2.7283	3.1179	1.7755		1.7639	3.6767	2.6437
H7	1.0914	2.1608	2.7308	3.1161	1.7755	1.7639		3.6787	2.6480
H8	3.3575	2.0450	1.0051	2.4939	4.1581	3.6767	3.6787		1.7307
H9	2.5974	2.0836	1.0030	3.1652	3.6455	2.6437	2.6480	1.7307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.880	C1	C2	O4	123.041
C2	C1	H5	108.801	C2	C1	H6	110.782
C2	C1	H7	110.782	C2	N3	H8	118.453
C2	N3	H9	122.493	N3	C2	O4	122.080
H5	C1	H6	109.313	H5	C1	H7	109.313
H6	C1	H7	107.826	H8	N3	H9	119.054

Number	Element	Mulliken
1	C	-0.309
2	C	0.226
3	N	-0.233
4	O	-0.325
5	H	0.122
6	H	0.101
7	H	0.101
8	H	0.161
9	H	0.156

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/cc-pVTZ

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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	x	y	z	Total
	-0.223	-3.837	0.000	3.844
CHELPG
AIM
ESP

	x	y	z
x	5.823	-0.085	-0.001
y	-0.085	5.986	0.000
z	-0.001	0.000	3.802

<r²>	75.091
(<r²>)^1/2	8.666

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)