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	hartrees
Energy at 0K	-139.412223
Energy at 298.15K	-139.415248
HF Energy	-139.044247
Nuclear repulsion energy	37.132592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3048	2923
2	A₁	1496	1435
3	A₁	1091	1046
4	E	3141	3012
4	E	3141	3012
5	E	1491	1430
5	E	1491	1430
6	E	1198	1149
6	E	1198	1149

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.754
H3	0.000	1.041	-1.000
H4	0.902	-0.521	-1.000
H5	-0.902	-0.521	-1.000

	C1	F2	H3	H4	H5
C1		1.3851	1.1050	1.1050	1.1050
F2	1.3851		2.0402	2.0402	2.0402
H3	1.1050	2.0402		1.8038	1.8038
H4	1.1050	2.0402	1.8038		1.8038
H5	1.1050	2.0402	1.8038	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.525	F2	C1	H4	109.525
F2	C1	H5	109.525	H3	C1	H4	109.417
H3	C1	H5	109.417	H4	C1	H5	109.417

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

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

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/cc-pVDZ

States and conformations

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