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	hartrees
Energy at 0K	-139.748027
Energy at 298.15K	-139.751048
HF Energy	-139.748027
Nuclear repulsion energy	37.323319

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	3035	2926	30.36	145.67	0.03	0.07
2	A₁	1492	1439	3.02	4.28	0.73	0.84
3	A₁	1070	1032	111.13	4.98	0.58	0.74
4	E	3122	3010	36.62	54.31	0.75	0.86
4	E	3122	3010	36.62	54.31	0.75	0.86
5	E	1486	1433	3.87	12.96	0.75	0.86
5	E	1486	1433	3.87	12.96	0.75	0.86
6	E	1195	1153	0.36	6.84	0.75	0.86
6	E	1195	1153	0.36	6.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.632
F2	0.000	0.000	0.751
H3	0.000	1.032	-0.990
H4	0.894	-0.516	-0.990
H5	-0.894	-0.516	-0.990

	C1	F2	H3	H4	H5
C1		1.3834	1.0924	1.0924	1.0924
F2	1.3834		2.0239	2.0239	2.0239
H3	1.0924	2.0239		1.7879	1.7879
H4	1.0924	2.0239	1.7879		1.7879
H5	1.0924	2.0239	1.7879	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.103	F2	C1	H4	109.103
F2	C1	H5	109.103	H3	C1	H4	109.837
H3	C1	H5	109.837	H4	C1	H5	109.837

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

using model chemistry: B3PW91/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	-0.085
2	F	-0.257
3	H	0.114
4	H	0.114
5	H	0.114

	x	y	z	Total
	0.000	0.000	-1.969	1.969
CHELPG
AIM
ESP

<r²>	21.129
(<r²>)^1/2	4.597

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

using model chemistry: B3PW91/TZVP

States and conformations

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