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	hartrees
Energy at 0K	-377.113680
Energy at 298.15K
HF Energy	-375.941332
Nuclear repulsion energy	190.299382

Atom	x (Å)	y (Å)	z (Å)
C1	-0.770	-0.597	-0.285
C2	0.466	0.020	0.332
F3	-1.883	0.108	0.151
F4	1.539	-0.758	-0.008
F5	0.675	1.264	-0.183
H6	-0.708	-0.531	-1.373
H7	-0.862	-1.637	0.035
H8	0.417	0.104	1.419

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5130	1.3879	2.3312	2.3590	1.0915	1.0913	2.1927
C2	1.5130		2.3575	1.3688	1.3626	2.1419	2.1438	1.0916
F3	1.3879	2.3575		3.5337	2.8275	2.0275	2.0249	2.6273
F4	2.3312	1.3688	3.5337		2.2058	2.6387	2.5569	2.0098
F5	2.3590	1.3626	2.8275	2.2058		2.5595	3.2901	1.9949
H6	1.0915	2.1419	2.0275	2.6387	2.5595		1.7964	3.0768
H7	1.0913	2.1438	2.0249	2.5569	3.2901	1.7964		2.5662
H8	2.1927	1.0916	2.6273	2.0098	1.9949	3.0768	2.5662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.881	C1	C2	F5	110.127
C1	C2	H8	113.681	C2	C1	F3	108.640
C2	C1	H6	109.580	C2	C1	H7	109.748
F3	C1	H6	109.126	F3	C1	H7	108.939
F4	C2	F5	107.722	F4	C2	H8	109.024
F5	C2	H8	108.243	H6	C1	H7	110.770

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

using model chemistry: MP4/aug-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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All results from a given calculation for CHF2CH2F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP4/aug-cc-pVTZ

States and conformations

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