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	hartrees
Energy at 0K	-139.399026
Energy at 298.15K	-139.402057
HF Energy	-139.044464
Nuclear repulsion energy	37.235091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3070	2937	27.21
2	A₁	1511	1445	8.70
3	A₁	1121	1073	95.25
4	E	3162	3025	44.65
4	E	3162	3025	44.65
5	E	1501	1436	1.74
5	E	1501	1436	1.74
6	E	1210	1157	2.62
6	E	1210	1157	2.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.629
F2	0.000	0.000	0.751
H3	0.000	1.041	-0.997
H4	0.901	-0.520	-0.997
H5	-0.901	-0.520	-0.997

	C1	F2	H3	H4	H5
C1		1.3800	1.1041	1.1041	1.1041
F2	1.3800		2.0350	2.0350	2.0350
H3	1.1041	2.0350		1.8027	1.8027
H4	1.1041	2.0350	1.8027		1.8027
H5	1.1041	2.0350	1.8027	1.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.504	F2	C1	H4	109.504
F2	C1	H5	109.504	H3	C1	H4	109.438
H3	C1	H5	109.438	H4	C1	H5	109.438

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

using model chemistry: CCD/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/cc-pVDZ

States and conformations

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