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	hartrees
Energy at 0K	-139.799144
Energy at 298.15K	-139.802161
HF Energy	-139.799144
Nuclear repulsion energy	37.157959

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	3028	2918	30.85	148.58	0.04	0.07
2	A₁	1498	1444	4.35	4.17	0.71	0.83
3	A₁	1043	1006	109.65	5.17	0.57	0.72
4	E	3112	2999	42.40	56.15	0.75	0.86
4	E	3112	2999	42.40	56.14	0.75	0.86
5	E	1502	1448	2.49	12.54	0.75	0.86
5	E	1502	1448	2.49	12.54	0.75	0.86
6	E	1194	1150	0.62	7.77	0.75	0.86
6	E	1194	1150	0.62	7.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.638
F2	0.000	0.000	0.755
H3	0.000	1.034	-0.989
H4	0.896	-0.517	-0.989
H5	-0.896	-0.517	-0.989

	C1	F2	H3	H4	H5
C1		1.3937	1.0921	1.0921	1.0921
F2	1.3937		2.0276	2.0276	2.0276
H3	1.0921	2.0276		1.7916	1.7916
H4	1.0921	2.0276	1.7916		1.7916
H5	1.0921	2.0276	1.7916	1.7916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.707	F2	C1	H4	108.707
F2	C1	H5	108.707	H3	C1	H4	110.225
H3	C1	H5	110.225	H4	C1	H5	110.225

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

using model chemistry: TPSSh/TZVP

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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Number	Element	Mulliken
1	C	-0.056
2	F	-0.265
3	H	0.107
4	H	0.107
5	H	0.107

	x	y	z	Total
	0.000	0.000	-1.991	1.991
CHELPG
AIM
ESP

<r²>	21.248
(<r²>)^1/2	4.610

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

using model chemistry: TPSSh/TZVP

States and conformations

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