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	hartrees
Energy at 0K	-139.605105
Energy at 298.15K	-139.608132
HF Energy	-139.097375
Nuclear repulsion energy	37.346786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3063	3063
2	A₁	1503	1503
3	A₁	1072	1072
4	E	3133	3133
4	E	3133	3133
5	E	1527	1527
5	E	1527	1527
6	E	1209	1209
6	E	1209	1209

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.635
F2	0.000	0.000	0.751
H3	0.000	1.031	-0.984
H4	0.892	-0.515	-0.984
H5	-0.892	-0.515	-0.984

	C1	F2	H3	H4	H5
C1		1.3857	1.0880	1.0880	1.0880
F2	1.3857		2.0176	2.0176	2.0176
H3	1.0880	2.0176		1.7849	1.7849
H4	1.0880	2.0176	1.7849		1.7849
H5	1.0880	2.0176	1.7849	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.708	F2	C1	H4	108.708
F2	C1	H5	108.708	H3	C1	H4	110.224
H3	C1	H5	110.224	H4	C1	H5	110.224

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

using model chemistry: QCISD(T)=FULL/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 CH3F (Methyl fluoride)

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

States and conformations

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