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	hartrees
Energy at 0K	-208.991412
Energy at 298.15K
Nuclear repulsion energy	121.711378

Atom	x (Å)	y (Å)	z (Å)
C1	-1.358	-0.337	-0.000
C2	0.078	0.146	-0.003
N3	1.024	-0.833	-0.012
O4	0.365	1.329	0.002
H5	-1.891	0.152	-0.820
H6	-1.465	-1.421	-0.101
H7	-1.834	-0.019	0.933
H8	1.993	-0.557	0.031
H9	0.797	-1.812	0.041

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5151	2.4333	2.3973	1.0930	1.0939	1.0940	3.3585	2.6124
C2	1.5151		1.3619	1.2176	2.1317	2.2011	2.1346	2.0405	2.0868
N3	2.4333	1.3619		2.2609	3.1813	2.5585	3.1180	1.0084	1.0058
O4	2.3973	1.2176	2.2609		2.6747	3.3051	2.7424	2.4920	3.1712
H5	1.0930	2.1317	3.1813	2.6747		1.7811	1.7615	4.0388	3.4388
H6	1.0939	2.2011	2.5585	3.3051	1.7811		1.7801	3.5662	2.3001
H7	1.0940	2.1346	3.1180	2.7424	1.7615	1.7801		3.9683	3.3067
H8	3.3585	2.0405	1.0084	2.4920	4.0388	3.5662	3.9683		1.7329
H9	2.6124	2.0868	1.0058	3.1712	3.4388	2.3001	3.3067	1.7329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.408	C1	C2	O4	122.253
C2	C1	H5	108.560	C2	C1	H6	114.085
C2	C1	H7	108.725	C2	N3	H8	118.057
C2	N3	H9	122.897	N3	C2	O4	122.339
H5	C1	H6	109.061	H5	C1	H7	107.301
H6	C1	H7	108.895	H8	N3	H9	118.708

Number	Element	Mulliken
1	C	-0.610
2	C	0.589
3	N	-0.786
4	O	-0.500
5	H	0.214
6	H	0.165
7	H	0.212
8	H	0.362
9	H	0.354

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HSEh1PBE/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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	x	y	z	Total
	-0.060	-3.751	0.173	3.755
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>	74.727
(<r²>)^1/2	8.645

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)