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	hartrees
Energy at 0K	-177.690379
Energy at 298.15K
HF Energy	-176.967918
Nuclear repulsion energy	67.934910

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	1.179	-0.152
F3	-1.137	-0.267
H4	-0.175	1.494
H5	1.274	-1.224
H6	2.063	0.458

	C1	C2	F3	H4	H5	H6
C1		1.3160	1.3352	1.0762	2.0890	2.0633
C2	1.3160		2.3194	2.1314	1.0756	1.0745
F3	1.3352	2.3194		2.0072	2.5940	3.2818
H4	1.0762	2.1314	2.0072		3.0796	2.4656
H5	2.0890	1.0756	2.5940	3.0796		1.8584
H6	2.0633	1.0745	3.2818	2.4656	1.8584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.407	C1	C2	H6	118.989
C2	C1	F3	122.058	C2	C1	H4	125.698
F3	C1	H4	112.244	H5	C2	H6	119.604

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

using model chemistry: CCSD=FULL/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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All results from a given calculation for CH2CHF (Ethene, fluoro-)

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

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