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	hartrees
Energy at 0K	-139.235956
Energy at 298.15K	-139.233910
HF Energy	-139.029546
Nuclear repulsion energy	35.798073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2192	2116	22.83
2	A₁	1131	1092	14.43
3	A₁	912	880	54.08
4	E	2379	2297	27.47
5	E	2379	2297	27.47
6	E	1114	1076	1.51
7	E	1114	1076	1.51
8	E	865	835	1.70
9	E	865	835	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.682
F2	0.000	0.000	0.791
H3	0.000	1.048	-1.010
H4	0.908	-0.524	-1.010
H5	-0.908	-0.524	-1.010

	C1	F2	H3	H4	H5
C1		1.4737	1.0979	1.0979	1.0979
F2	1.4737		2.0837	2.0837	2.0837
H3	1.0979	2.0837		1.8151	1.8151
H4	1.0979	2.0837	1.8151		1.8151
H5	1.0979	2.0837	1.8151	1.8151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	107.344	F2	C1	D4	107.344
F2	C1	D5	107.344	D3	C1	D4	111.512
D3	C1	D5	111.512	D4	C1	D5	111.512

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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