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	hartrees
Energy at 0K	-177.724538
Energy at 298.15K
HF Energy	-176.968208
Nuclear repulsion energy	67.644344

Atom	x (Å)	y (Å)
C1	0.000	0.436
C2	1.184	-0.153
F3	-1.142	-0.270
H4	-0.178	1.500
H5	1.279	-1.227
H6	2.069	0.461

	C1	C2	F3	H4	H5	H6
C1		1.3222	1.3421	1.0790	2.0978	2.0696
C2	1.3222		2.3285	2.1417	1.0784	1.0773
F3	1.3421	2.3285		2.0151	2.6031	3.2931
H4	1.0790	2.1417	2.0151		3.0919	2.4762
H5	2.0978	1.0784	2.6031	3.0919		1.8636
H6	2.0696	1.0773	3.2931	2.4762	1.8636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.500	C1	C2	H6	118.849
C2	C1	F3	121.843	C2	C1	H4	125.941
F3	C1	H4	112.216	H5	C2	H6	119.651

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

using model chemistry: QCISD(T)=FULL/aug-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: QCISD(T)=FULL/aug-cc-pVQZ

States and conformations

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