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	hartrees
Energy at 0K	-139.709067
Energy at 298.15K	-139.712072
HF Energy	-139.709067
Nuclear repulsion energy	37.054101

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	2961	2918	35.72	141.74	0.03	0.06
2	A₁	1470	1449	4.75	4.79	0.67	0.81
3	A₁	1025	1010	100.36	4.14	0.66	0.80
4	E	3040	2997	57.78	61.72	0.75	0.86
4	E	3040	2997	57.78	61.72	0.75	0.86
5	E	1456	1435	2.63	13.24	0.75	0.86
5	E	1456	1435	2.63	13.24	0.75	0.86
6	E	1168	1151	0.60	6.02	0.75	0.86
6	E	1168	1151	0.60	6.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.637
F2	0.000	0.000	0.758
H3	0.000	1.037	-0.999
H4	0.898	-0.518	-0.999
H5	-0.898	-0.518	-0.999

	C1	F2	H3	H4	H5
C1		1.3946	1.0982	1.0982	1.0982
F2	1.3946		2.0394	2.0394	2.0394
H3	1.0982	2.0394		1.7961	1.7961
H4	1.0982	2.0394	1.7961		1.7961
H5	1.0982	2.0394	1.7961	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.218	F2	C1	H4	109.218
F2	C1	H5	109.218	H3	C1	H4	109.723
H3	C1	H5	109.723	H4	C1	H5	109.723

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

using model chemistry: B97D3/6-311G**

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	-0.021
2	F	-0.276
3	H	0.099
4	H	0.099
5	H	0.099

	x	y	z	Total
	0.000	0.000	-1.816	1.816
CHELPG
AIM
ESP

<r²>	21.259
(<r²>)^1/2	4.611

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

using model chemistry: B97D3/6-311G**

States and conformations

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