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	hartrees
Energy at 0K	-139.355176
Energy at 298.15K	-139.358204
HF Energy	-139.033606
Nuclear repulsion energy	37.138811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	2925	26.62
2	A₁	1541	1467	8.57
3	A₁	1102	1050	87.47
4	E	3158	3007	45.13
4	E	3158	3007	45.13
5	E	1547	1473	1.31
5	E	1547	1473	1.31
6	E	1216	1158	1.00
6	E	1216	1158	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.636
F2	0.000	0.000	0.756
H3	0.000	1.035	-0.994
H4	0.897	-0.518	-0.994
H5	-0.897	-0.518	-0.994

	C1	F2	H3	H4	H5
C1		1.3917	1.0955	1.0955	1.0955
F2	1.3917		2.0333	2.0333	2.0333
H3	1.0955	2.0333		1.7932	1.7932
H4	1.0955	2.0333	1.7932		1.7932
H5	1.0955	2.0333	1.7932	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.086	F2	C1	H4	109.086
F2	C1	H5	109.086	H3	C1	H4	109.853
H3	C1	H5	109.853	H4	C1	H5	109.853

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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