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	hartrees
Energy at 0K	-177.558114
Energy at 298.15K
HF Energy	-176.956951
Nuclear repulsion energy	67.681953

Atom	x (Å)	y (Å)
C1	0.000	0.435
C2	1.183	-0.153
F3	-1.141	-0.269
H4	-0.178	1.500
H5	1.278	-1.228
H6	2.070	0.460

	C1	C2	F3	H4	H5	H6
C1		1.3209	1.3406	1.0802	2.0971	2.0706
C2	1.3209		2.3270	2.1410	1.0796	1.0785
F3	1.3406	2.3270		2.0146	2.6019	3.2932
H4	1.0802	2.1410	2.0146		3.0923	2.4770
H5	2.0971	1.0796	2.6019	3.0923		1.8652
H6	2.0706	1.0785	3.2932	2.4770	1.8652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.432	C1	C2	H6	118.963
C2	C1	F3	121.926	C2	C1	H4	125.870
F3	C1	H4	112.203	H5	C2	H6	119.605

All results from a given calculation for CH₂CHF (Ethene, fluoro-)

using model chemistry: CCD/daug-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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All results from a given calculation for CH2CHF (Ethene, fluoro-)

using model chemistry: CCD/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHF (Ethene, fluoro-)