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	hartrees
Energy at 0K	-139.724347
Energy at 298.15K	-139.727328
HF Energy	-139.724347
Nuclear repulsion energy	36.542694

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	2958	2953	34.09	177.41	0.02	0.04
2	A₁	1402	1399	0.48	0.85	0.15	0.26
3	A₁	964	962	103.69	6.06	0.45	0.62
4	E	3049	3044	28.88	51.17	0.75	0.86
4	E	3049	3044	28.88	51.17	0.75	0.86
5	E	1415	1412	4.39	4.83	0.75	0.86
5	E	1415	1412	4.39	4.83	0.75	0.86
6	E	1131	1129	0.59	1.78	0.75	0.86
6	E	1131	1129	0.59	1.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.653
F2	0.000	0.000	0.768
H3	0.000	1.050	-0.999
H4	0.909	-0.525	-0.999
H5	-0.909	-0.525	-0.999

	C1	F2	H3	H4	H5
C1		1.4219	1.1049	1.1049	1.1049
F2	1.4219		2.0553	2.0553	2.0553
H3	1.1049	2.0553		1.8179	1.8179
H4	1.1049	2.0553	1.8179		1.8179
H5	1.1049	2.0553	1.8179	1.8179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.203	F2	C1	H4	108.203
F2	C1	H5	108.203	H3	C1	H4	110.709
H3	C1	H5	110.709	H4	C1	H5	110.709

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

using model chemistry: BLYP/aug-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	1.335
2	F	-0.378
3	H	-0.319
4	H	-0.319
5	H	-0.319

	x	y	z	Total
	0.000	0.000	-1.896	1.896
CHELPG
AIM
ESP

<r²>	21.950
(<r²>)^1/2	4.685

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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