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	hartrees
Energy at 0K	-139.555206
Energy at 298.15K	-139.558241
HF Energy	-139.097761
Nuclear repulsion energy	37.424735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3072	3072	30.19
2	A₁	1515	1515	1.76
3	A₁	1104	1104	108.80
4	E	3162	3162	25.72
4	E	3162	3162	25.73
5	E	1527	1527	4.71
5	E	1527	1527	4.71
6	E	1221	1221	1.81
6	E	1221	1221	1.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.632
F2	0.000	0.000	0.749
H3	0.000	1.031	-0.983
H4	0.892	-0.515	-0.983
H5	-0.892	-0.515	-0.983

	C1	F2	H3	H4	H5
C1		1.3808	1.0886	1.0886	1.0886
F2	1.3808		2.0150	2.0150	2.0150
H3	1.0886	2.0150		1.7850	1.7850
H4	1.0886	2.0150	1.7850		1.7850
H5	1.0886	2.0150	1.7850	1.7850

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: CCD/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: CCD/daug-cc-pVDZ

States and conformations

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