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	hartrees
Energy at 0K	-834.667922
Energy at 298.15K
HF Energy	-833.638269
Nuclear repulsion energy	298.518193

Atom	x (Å)	y (Å)
C1	-0.677	-0.655
C2	0.000	0.465
F3	-1.968	-0.707
F4	-0.138	-1.828
F5	-0.625	1.616
Cl6	1.685	0.554

	C1	C2	F3	F4	F5	Cl6
C1		1.3084	1.2921	1.2909	2.2711	2.6536
C2	1.3084		2.2905	2.2968	1.3097	1.6874
F3	1.2921	2.2905		2.1459	2.6831	3.8648
F4	1.2909	2.2968	2.1459		3.4778	2.9998
F5	2.2711	1.3097	2.6831	3.4778		2.5422
Cl6	2.6536	1.6874	3.8648	2.9998	2.5422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.329	C1	C2	Cl6	124.209
C2	C1	F3	123.482	C2	C1	F4	124.159
F3	C1	F4	112.359	F5	C2	Cl6	115.462

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: CID/6-311+G(3df,2p)

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 C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: CID/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)