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	hartrees
Energy at 0K	-139.399626
Energy at 298.15K	-139.402660
HF Energy	-139.044642
Nuclear repulsion energy	37.305322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	2907	26.39
2	A₁	1515	1425	8.06
3	A₁	1129	1062	95.61
4	E	3186	2996	43.29
4	E	3186	2996	43.29
5	E	1506	1416	2.00
5	E	1506	1416	2.00
6	E	1214	1142	2.48
6	E	1214	1142	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.627
F2	0.000	0.000	0.750
H3	0.000	1.038	-0.996
H4	0.899	-0.519	-0.996
H5	-0.899	-0.519	-0.996

	C1	F2	H3	H4	H5
C1		1.3775	1.1018	1.1018	1.1018
F2	1.3775		2.0316	2.0316	2.0316
H3	1.1018	2.0316		1.7983	1.7983
H4	1.1018	2.0316	1.7983		1.7983
H5	1.1018	2.0316	1.7983	1.7983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.558	F2	C1	H4	109.558
F2	C1	H5	109.558	H3	C1	H4	109.384
H3	C1	H5	109.384	H4	C1	H5	109.384

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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