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	hartrees
Energy at 0K	-139.744251
Energy at 298.15K	-139.747278
HF Energy	-139.744251
Nuclear repulsion energy	37.529937

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	2920	31.12	150.90	0.03	0.06
2	A₁	1491	1427	1.88	2.20	0.53	0.69
3	A₁	1100	1053	104.95	4.06	0.61	0.76
4	E	3136	3001	36.53	52.24	0.75	0.86
4	E	3136	3001	36.53	52.24	0.75	0.86
5	E	1497	1433	3.49	8.50	0.75	0.86
5	E	1497	1433	3.49	8.50	0.75	0.86
6	E	1201	1150	0.91	3.49	0.75	0.86
6	E	1201	1150	0.91	3.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.628
F2	0.000	0.000	0.747
H3	0.000	1.028	-0.985
H4	0.890	-0.514	-0.985
H5	-0.890	-0.514	-0.985

	C1	F2	H3	H4	H5
C1		1.3745	1.0882	1.0882	1.0882
F2	1.3745		2.0139	2.0139	2.0139
H3	1.0882	2.0139		1.7802	1.7802
H4	1.0882	2.0139	1.7802		1.7802
H5	1.0882	2.0139	1.7802	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.174	F2	C1	H4	109.174
F2	C1	H5	109.174	H3	C1	H4	109.767
H3	C1	H5	109.767	H4	C1	H5	109.767

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

using model chemistry: B1B95/cc-pVTZ

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	0.004
2	F	-0.239
3	H	0.078
4	H	0.078
5	H	0.078

	x	y	z	Total
	0.000	0.000	-1.767	1.767
CHELPG
AIM
ESP

<r²>	20.927
(<r²>)^1/2	4.575

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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