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	hartrees
Energy at 0K	-139.572017
Energy at 298.15K	-139.575049
HF Energy	-139.102354
Nuclear repulsion energy	37.458343

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	3094	3094	28.48	143.26	0.03	0.06
2	A₁	1516	1516	2.47	1.26	0.56	0.72
3	A₁	1095	1095	101.17	5.26	0.49	0.66
4	E	3194	3194	26.79	45.10	0.75	0.86
4	E	3194	3194	26.79	45.10	0.75	0.86
5	E	1528	1528	3.53	7.90	0.75	0.86
5	E	1528	1528	3.53	7.90	0.75	0.86
6	E	1221	1221	1.13	3.70	0.75	0.86
6	E	1221	1221	1.13	3.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.632
F2	0.000	0.000	0.749
H3	0.000	1.025	-0.984
H4	0.888	-0.513	-0.984
H5	-0.888	-0.513	-0.984

	C1	F2	H3	H4	H5
C1		1.3816	1.0840	1.0840	1.0840
F2	1.3816		2.0140	2.0140	2.0140
H3	1.0840	2.0140		1.7759	1.7759
H4	1.0840	2.0140	1.7759		1.7759
H5	1.0840	2.0140	1.7759	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.944	F2	C1	H4	108.944
F2	C1	H5	108.944	H3	C1	H4	109.993
H3	C1	H5	109.993	H4	C1	H5	109.993

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

using model chemistry: MP2=FULL/Def2TZVPP

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: MP2=FULL/Def2TZVPP

States and conformations

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