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	hartrees
Energy at 0K	-139.401688
Energy at 298.15K	-139.404716
HF Energy	-139.044331
Nuclear repulsion energy	37.163740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3059	2935	29.02
2	A₁	1504	1443	8.94
3	A₁	1100	1055	95.32
4	E	3150	3022	46.61
4	E	3150	3022	46.61
5	E	1497	1436	1.56
5	E	1497	1436	1.56
6	E	1204	1155	2.46
6	E	1204	1155	2.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.630
F2	0.000	0.000	0.753
H3	0.000	1.041	-0.999
H4	0.902	-0.521	-0.999
H5	-0.902	-0.521	-0.999

	C1	F2	H3	H4	H5
C1		1.3837	1.1046	1.1046	1.1046
F2	1.3837		2.0383	2.0383	2.0383
H3	1.1046	2.0383		1.8038	1.8038
H4	1.1046	2.0383	1.8038		1.8038
H5	1.1046	2.0383	1.8038	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.481	F2	C1	H4	109.481
F2	C1	H5	109.481	H3	C1	H4	109.461
H3	C1	H5	109.461	H4	C1	H5	109.461

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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