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	hartrees
Energy at 0K	-139.592702
Energy at 298.15K
HF Energy	-139.107044
Nuclear repulsion energy	37.460975

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.748
H3	0.000	1.029	-0.982
H4	0.891	-0.515	-0.982
H5	-0.891	-0.515	-0.982

	C1	F2	H3	H4	H5
C1		1.3796	1.0873	1.0873	1.0873
F2	1.3796		2.0130	2.0130	2.0130
H3	1.0873	2.0130		1.7829	1.7829
H4	1.0873	2.0130	1.7829		1.7829
H5	1.0873	2.0130	1.7829	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.793	F2	C1	H4	108.793
F2	C1	H5	108.793	H3	C1	H4	110.141
H3	C1	H5	110.141	H4	C1	H5	110.141

All results from a given calculation for CH₃F (Methyl fluoride)

using model chemistry: CCSD/aug-cc-pVQZ

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 CH3F (Methyl fluoride)

using model chemistry: CCSD/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃F (Methyl fluoride)