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	hartrees
Energy at 0K	-138.839486
Energy at 298.15K	-138.842511
HF Energy	-138.839486
Nuclear repulsion energy	36.755923

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	3051	2929	22.14	106.03	0.03	0.06
2	A₁	1561	1498	3.59	8.08	0.73	0.84
3	A₁	1084	1040	49.26	4.37	0.52	0.69
4	E	3117	2992	49.43	54.50	0.75	0.86
4	E	3117	2992	49.43	54.50	0.75	0.86
5	E	1568	1505	3.38	23.70	0.75	0.86
5	E	1568	1505	3.38	23.70	0.75	0.86
6	E	1191	1143	0.03	8.23	0.75	0.86
6	E	1191	1143	0.03	8.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.642
F2	0.000	0.000	0.769
H3	0.000	1.027	-1.023
H4	0.890	-0.514	-1.023
H5	-0.890	-0.514	-1.023

	C1	F2	H3	H4	H5
C1		1.4108	1.0958	1.0958	1.0958
F2	1.4108		2.0656	2.0656	2.0656
H3	1.0958	2.0656		1.7794	1.7794
H4	1.0958	2.0656	1.7794		1.7794
H5	1.0958	2.0656	1.7794	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	110.358	F2	C1	H4	110.358
F2	C1	H5	110.358	H3	C1	H4	108.570
H3	C1	H5	108.570	H4	C1	H5	108.570

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

using model chemistry: HSEh1PBE/3-21G*

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	-0.305
2	F	-0.310
3	H	0.205
4	H	0.205
5	H	0.205

	x	y	z	Total
	0.000	0.000	-1.928	1.928
CHELPG
AIM
ESP

<r²>	21.442
(<r²>)^1/2	4.631

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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