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	hartrees
Energy at 0K	-139.662796
Energy at 298.15K	-139.665824
HF Energy	-139.541346
Nuclear repulsion energy	37.330214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3066	3066	30.77	123.17	0.04	0.08
2	A₁	1532	1532	4.77	4.81	0.72	0.84
3	A₁	1076	1076	100.80	4.97	0.59	0.74
4	E	3153	3153	49.63	57.02	0.75	0.86
4	E	3153	3153	49.63	57.02	0.75	0.86
5	E	1531	1531	3.52	13.19	0.75	0.86
5	E	1531	1531	3.52	13.19	0.75	0.86
6	E	1218	1218	0.98	6.35	0.75	0.86
6	E	1218	1218	0.98	6.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.633
F2	0.000	0.000	0.751
H3	0.000	1.031	-0.988
H4	0.893	-0.515	-0.988
H5	-0.893	-0.515	-0.988

	C1	F2	H3	H4	H5
C1		1.3846	1.0903	1.0903	1.0903
F2	1.3846		2.0221	2.0221	2.0221
H3	1.0903	2.0221		1.7854	1.7854
H4	1.0903	2.0221	1.7854		1.7854
H5	1.0903	2.0221	1.7854	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.005	F2	C1	H4	109.005
F2	C1	H5	109.005	H3	C1	H4	109.933
H3	C1	H5	109.933	H4	C1	H5	109.933

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

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

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