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	hartrees
Energy at 0K	-139.523362
Energy at 298.15K	-139.526406
HF Energy	-139.098021
Nuclear repulsion energy	37.585527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	3129	31.24
2	A₁	1542	1542	1.87
3	A₁	1121	1121	115.93
4	E	3218	3218	27.09
4	E	3218	3218	27.09
5	E	1556	1556	4.83
5	E	1556	1556	4.83
6	E	1244	1244	2.01
6	E	1244	1244	2.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.629
F2	0.000	0.000	0.746
H3	0.000	1.026	-0.979
H4	0.888	-0.513	-0.979
H5	-0.888	-0.513	-0.979

	C1	F2	H3	H4	H5
C1		1.3750	1.0837	1.0837	1.0837
F2	1.3750		2.0064	2.0064	2.0064
H3	1.0837	2.0064		1.7768	1.7768
H4	1.0837	2.0064	1.7768		1.7768
H5	1.0837	2.0064	1.7768	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.803	F2	C1	H4	108.803
F2	C1	H5	108.803	H3	C1	H4	110.131
H3	C1	H5	110.131	H4	C1	H5	110.131

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

using model chemistry: CISD/daug-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: CISD/daug-cc-pVDZ

States and conformations

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