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	hartrees
Energy at 0K	-139.457966
Energy at 298.15K	-139.456004
HF Energy	-139.046018
Nuclear repulsion energy	37.565738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2213	2096	20.04
2	A₁	1227	1162	52.18
3	A₁	1047	992	35.28
4	E	2359	2234	22.37
5	E	2359	2234	22.37
6	E	1114	1055	0.38
7	E	1114	1055	0.38
8	E	952	901	2.39
9	E	952	901	2.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.624
F2	0.000	0.000	0.745
H3	0.000	1.029	-0.989
H4	0.891	-0.515	-0.989
H5	-0.891	-0.515	-0.989

	C1	F2	H3	H4	H5
C1		1.3693	1.0921	1.0921	1.0921
F2	1.3693		2.0167	2.0167	2.0167
H3	1.0921	2.0167		1.7828	1.7828
H4	1.0921	2.0167	1.7828		1.7828
H5	1.0921	2.0167	1.7828	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.520	F2	C1	D4	109.520
F2	C1	D5	109.520	D3	C1	D4	109.422
D3	C1	D5	109.422	D4	C1	D5	109.422

All results from a given calculation for CD₃F (methylfluoride-d3)

using model chemistry: CCD/6-31G(2df,p)

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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All results from a given calculation for CD3F (methylfluoride-d3)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CD₃F (methylfluoride-d3)