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	hartrees
Energy at 0K	-139.682355
Energy at 298.15K	-139.685388
HF Energy	-139.682355
Nuclear repulsion energy	37.484555

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	3067	2928	30.57	116.19	0.04	0.07
2	A₁	1533	1464	8.15	6.48	0.73	0.84
3	A₁	1129	1078	94.43	4.54	0.56	0.72
4	E	3151	3008	48.37	56.10	0.75	0.86
4	E	3151	3008	48.37	56.10	0.75	0.86
5	E	1528	1459	1.75	18.17	0.75	0.86
5	E	1528	1459	1.75	18.18	0.75	0.86
6	E	1212	1157	0.67	7.05	0.75	0.86
6	E	1212	1157	0.67	7.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.625
F2	0.000	0.000	0.748
H3	0.000	1.030	-0.992
H4	0.892	-0.515	-0.992
H5	-0.892	-0.515	-0.992

	C1	F2	H3	H4	H5
C1		1.3728	1.0934	1.0934	1.0934
F2	1.3728		2.0216	2.0216	2.0216
H3	1.0934	2.0216		1.7840	1.7840
H4	1.0934	2.0216	1.7840		1.7840
H5	1.0934	2.0216	1.7840	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.599	F2	C1	H4	109.599
F2	C1	H5	109.599	H3	C1	H4	109.343
H3	C1	H5	109.343	H4	C1	H5	109.343

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

using model chemistry: B1B95/6-31G**

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	-0.151
2	F	-0.315
3	H	0.156
4	H	0.156
5	H	0.156

	x	y	z	Total
	0.000	0.000	-1.727	1.727
CHELPG
AIM
ESP

<r²>	20.839
(<r²>)^1/2	4.565

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

using model chemistry: B1B95/6-31G**

States and conformations

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