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	hartrees
Energy at 0K	-377.192095
Energy at 298.15K
HF Energy	-375.956531
Nuclear repulsion energy	190.861104

Atom	x (Å)	y (Å)	z (Å)
C1	-0.771	-0.593	-0.283
C2	0.466	0.020	0.330
F3	-1.880	0.109	0.150
F4	1.533	-0.758	-0.008
F5	0.677	1.260	-0.182
H6	-0.706	-0.531	-1.367
H7	-0.859	-1.630	0.036
H8	0.417	0.102	1.413

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5105	1.3817	2.3265	2.3541	1.0879	1.0880	2.1844
C2	1.5105		2.3542	1.3631	1.3578	2.1347	2.1368	1.0877
F3	1.3817	2.3542		3.5248	2.8233	2.0215	2.0192	2.6214
F4	2.3265	1.3631	3.5248		2.1987	2.6294	2.5474	2.0013
F5	2.3541	1.3578	2.8233	2.1987		2.5547	3.2802	1.9881
H6	1.0879	2.1347	2.0215	2.6294	2.5547		1.7883	3.0647
H7	1.0880	2.1368	2.0192	2.5474	3.2802	1.7883		2.5549
H8	2.1844	1.0877	2.6214	2.0013	1.9881	3.0647	2.5549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.005	C1	C2	F5	110.201
C1	C2	H8	113.437	C2	C1	F3	108.894
C2	C1	H6	109.399	C2	C1	H7	109.567
F3	C1	H6	109.300	F3	C1	H7	109.111
F4	C2	F5	107.812	F4	C2	H8	108.974
F5	C2	H8	108.263	H6	C1	H7	110.543

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP4=FULL/Def2TZVPP

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 CHF2CH2F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP4=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)