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	hartrees
Energy at 0K	-139.606099
Energy at 298.15K	-139.609120
HF Energy	-139.606099
Nuclear repulsion energy	37.328592

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	3040	2924	28.58	143.38	0.03	0.07
2	A₁	1476	1420	5.54	4.07	0.64	0.78
3	A₁	1106	1064	101.61	4.12	0.65	0.79
4	E	3134	3015	40.08	63.89	0.75	0.86
4	E	3134	3015	40.08	63.89	0.75	0.86
5	E	1465	1409	3.26	14.19	0.75	0.86
5	E	1465	1409	3.26	14.19	0.75	0.86
6	E	1184	1139	0.98	4.60	0.75	0.86
6	E	1184	1139	0.98	4.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.626
F2	0.000	0.000	0.750
H3	0.000	1.038	-0.997
H4	0.899	-0.519	-0.997
H5	-0.899	-0.519	-0.997

	C1	F2	H3	H4	H5
C1		1.3758	1.1021	1.1021	1.1021
F2	1.3758		2.0315	2.0315	2.0315
H3	1.1021	2.0315		1.7978	1.7978
H4	1.1021	2.0315	1.7978		1.7978
H5	1.1021	2.0315	1.7978	1.7978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.642	F2	C1	H4	109.642
F2	C1	H5	109.642	H3	C1	H4	109.300
H3	C1	H5	109.300	H4	C1	H5	109.300

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.129
2	F	-0.254
3	H	0.042
4	H	0.042
5	H	0.042

	x	y	z	Total
	0.000	0.000	-1.721	1.721
CHELPG
AIM
ESP

<r²>	21.001
(<r²>)^1/2	4.583

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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