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	hartrees
Energy at 0K	-139.737131
Energy at 298.15K	-139.740155
HF Energy	-139.737131
Nuclear repulsion energy	37.219491

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	3031	2906	33.08	128.72	0.03	0.07
2	A₁	1523	1460	8.79	6.17	0.71	0.83
3	A₁	1088	1043	91.85	4.28	0.57	0.73
4	E	3111	2982	57.17	60.18	0.75	0.86
4	E	3111	2982	57.18	60.19	0.75	0.86
5	E	1522	1459	0.88	17.62	0.75	0.86
5	E	1522	1459	0.88	17.62	0.75	0.86
6	E	1202	1152	0.74	7.63	0.75	0.86
6	E	1202	1152	0.74	7.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.633
F2	0.000	0.000	0.754
H3	0.000	1.033	-0.997
H4	0.894	-0.516	-0.997
H5	-0.894	-0.516	-0.997

	C1	F2	H3	H4	H5
C1		1.3867	1.0952	1.0952	1.0952
F2	1.3867		2.0331	2.0331	2.0331
H3	1.0952	2.0331		1.7887	1.7887
H4	1.0952	2.0331	1.7887		1.7887
H5	1.0952	2.0331	1.7887	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.445	F2	C1	H4	109.445
F2	C1	H5	109.445	H3	C1	H4	109.497
H3	C1	H5	109.497	H4	C1	H5	109.497

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	-0.031
2	F	-0.319
3	H	0.116
4	H	0.116
5	H	0.116

	x	y	z	Total
	0.000	0.000	-1.709	1.709
CHELPG
AIM
ESP

<r²>	21.047
(<r²>)^1/2	4.588

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

using model chemistry: TPSSh/6-31G**

States and conformations

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