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	hartrees
Energy at 0K	-139.477070
Energy at 298.15K	-139.480102
HF Energy	-139.095757
Nuclear repulsion energy	37.313038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2939	29.46
2	A₁	1537	1468	7.41
3	A₁	1085	1036	106.34
4	E	3168	3026	38.83
4	E	3168	3026	38.83
5	E	1523	1455	1.86
5	E	1523	1455	1.86
6	E	1229	1174	1.86
6	E	1229	1174	1.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.634
F2	0.000	0.000	0.752
H3	0.000	1.032	-0.986
H4	0.894	-0.516	-0.986
H5	-0.894	-0.516	-0.986

	C1	F2	H3	H4	H5
C1		1.3860	1.0901	1.0901	1.0901
F2	1.3860		2.0209	2.0209	2.0209
H3	1.0901	2.0209		1.7872	1.7872
H4	1.0901	2.0209	1.7872		1.7872
H5	1.0901	2.0209	1.7872	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.819	F2	C1	H4	108.819
F2	C1	H5	108.819	H3	C1	H4	110.116
H3	C1	H5	110.116	H4	C1	H5	110.116

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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