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	hartrees
Energy at 0K	-137.787379
Energy at 298.15K	-137.790384
HF Energy	-137.787379
Nuclear repulsion energy	36.657240

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	3242	3242	11.84	39.43	0.03	0.05
2	A₁	1648	1648	1.43	5.23	0.73	0.84
3	A₁	1214	1214	11.84	2.98	0.48	0.64
4	E	3396	3396	9.42	26.02	0.75	0.86
4	E	3396	3396	9.42	26.02	0.75	0.86
5	E	1674	1674	2.36	15.69	0.75	0.86
5	E	1674	1674	2.36	15.69	0.75	0.86
6	E	1233	1233	1.04	3.73	0.75	0.86
6	E	1233	1233	1.05	3.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.635
F2	0.000	0.000	0.769
H3	0.000	1.039	-1.036
H4	0.899	-0.519	-1.036
H5	-0.899	-0.519	-1.036

	C1	F2	H3	H4	H5
C1		1.4037	1.1133	1.1133	1.1133
F2	1.4037		2.0822	2.0822	2.0822
H3	1.1133	2.0822		1.7988	1.7988
H4	1.1133	2.0822	1.7988		1.7988
H5	1.1133	2.0822	1.7988	1.7988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	111.111	F2	C1	H4	111.111
F2	C1	H5	111.111	H3	C1	H4	107.782
H3	C1	H5	107.782	H4	C1	H5	107.782

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

using model chemistry: wB97X-D/STO-3G

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	-0.114
2	F	-0.106
3	H	0.073
4	H	0.073
5	H	0.073

	x	y	z	Total
	0.000	0.000	-0.969	0.969
CHELPG
AIM
ESP

<r²>	21.008
(<r²>)^1/2	4.583

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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