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	hartrees
Energy at 0K	-376.621182
Energy at 298.15K
HF Energy	-375.823843
Nuclear repulsion energy	201.427646

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.499
C2	0.000	0.000	0.011
H3	0.000	-0.971	1.835
H4	0.841	0.485	1.835
H5	-0.841	0.485	1.835
F6	0.000	1.570	-0.539
F7	-1.360	-0.785	-0.539
F8	1.360	-0.785	-0.539

	C1	C2	H3	H4	H5	F6	F7	F8
C1		1.4884	1.0274	1.0274	1.0274	2.5731	2.5731	2.5731
C2	1.4884		2.0668	2.0668	2.0668	1.6636	1.6636	1.6636
H3	1.0274	2.0668		1.6815	1.6815	3.4779	2.7428	2.7428
H4	1.0274	2.0668	1.6815		1.6815	2.7428	3.4779	2.7428
H5	1.0274	2.0668	1.6815	1.6815		2.7428	2.7428	3.4779
F6	2.5731	1.6636	3.4779	2.7428	2.7428		2.7192	2.7192
F7	2.5731	1.6636	2.7428	3.4779	2.7428	2.7192		2.7192
F8	2.5731	1.6636	2.7428	2.7428	3.4779	2.7192	2.7192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.314	C1	C2	F7	109.314
C1	C2	F8	109.314	C2	C1	H3	109.106
C2	C1	H4	109.106	C2	C1	H5	109.106
H3	C1	H4	109.834	H3	C1	H5	109.834
H4	C1	H5	109.834	F6	C2	F7	109.628
F6	C2	F8	109.628	F7	C2	F8	109.628

All results from a given calculation for CH₃CF₃ (Ethane, 1,1,1-trifluoro-)

using model chemistry: MP3/6-31+G**

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 CH3CF3 (Ethane, 1,1,1-trifluoro-)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₃CF₃ (Ethane, 1,1,1-trifluoro-)