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	hartrees
Energy at 0K	-177.544742
Energy at 298.15K
HF Energy	-176.956615
Nuclear repulsion energy	67.511662

Atom	x (Å)	y (Å)
C1	0.000	0.435
C2	1.188	-0.150
F3	-1.144	-0.273
H4	-0.180	1.500
H5	1.284	-1.225
H6	2.068	0.471

	C1	C2	F3	H4	H5	H6
C1		1.3243	1.3457	1.0803	2.0990	2.0687
C2	1.3243		2.3352	2.1441	1.0788	1.0778
F3	1.3457	2.3352		2.0183	2.6084	3.2976
H4	1.0803	2.1441	2.0183		3.0940	2.4734
H5	2.0990	1.0788	2.6084	3.0940		1.8683
H6	2.0687	1.0778	3.2976	2.4734	1.8683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.384	C1	C2	H6	118.552
C2	C1	F3	121.994	C2	C1	H4	125.866
F3	C1	H4	112.140	H5	C2	H6	120.064

Number	Element	Mulliken
1	C	0.028
2	C	-1.778
3	F	-0.915
4	H	1.193
5	H	0.850
6	H	0.621

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

using model chemistry: ROMP2/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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<r²>	43.061
(<r²>)^1/2	6.562

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

using model chemistry: ROMP2/daug-cc-pVTZ

States and conformations

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