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	hartrees
Energy at 0K	-133.136921
Energy at 298.15K
HF Energy	-133.136921
Nuclear repulsion energy	71.597509

Atom	x (Å)	y (Å)	z (Å)
C1	-1.018	-0.653	0.000
C2	0.000	0.443	0.000
N3	1.227	0.215	0.000
H4	-0.532	-1.617	0.000
H5	-1.656	-0.570	0.873
H6	-1.656	-0.570	-0.873
H7	-0.397	1.453	0.000
H8	1.763	1.061	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.4961	2.4071	1.0793	1.0847	1.0847	2.1963	3.2669
C2	1.4961		1.2478	2.1276	2.1288	2.1288	1.0858	1.8680
N3	2.4071	1.2478		2.5401	3.1132	3.1132	2.0421	1.0014
H4	1.0793	2.1276	2.5401		1.7669	1.7669	3.0735	3.5271
H5	1.0847	2.1288	3.1132	1.7669		1.7460	2.5382	3.8876
H6	1.0847	2.1288	3.1132	1.7669	1.7460		2.5382	3.8876
H7	2.1963	1.0858	2.0421	3.0735	2.5382	2.5382		2.1950
H8	3.2669	1.8680	1.0014	3.5271	3.8876	3.8876	2.1950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	122.378	C1	C2	H7	115.659
C2	C1	H4	110.363	C2	C1	H5	110.138
C2	C1	H6	110.138	C2	N3	H8	111.834
N3	C2	H7	121.963	H4	C1	H5	109.475
H4	C1	H6	109.475	H5	C1	H6	107.193

Number	Element	Mulliken
1	C	-0.179
2	C	0.065
3	N	-0.353
4	H	0.107
5	H	0.067
6	H	0.067
7	H	0.060
8	H	0.165

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: HF/cc-pVQZ

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
	-1.668	1.445	0.000	2.207
CHELPG
AIM
ESP

	x	y	z
x	6.027	0.259	0.000
y	0.259	4.505	0.000
z	0.000	0.000	3.654

<r²>	49.904
(<r²>)^1/2	7.064

All results from a given calculation for CH3CHNH (ethanimine)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for CH₃CHNH (ethanimine)