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	hartrees
Energy at 0K	-139.635483
Energy at 298.15K	-139.633508
HF Energy	-139.106360
Nuclear repulsion energy	37.519605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2222	2126	23.65
2	A₁	1176	1126	43.34
3	A₁	1024	980	54.33
4	E	2382	2280	15.95
5	E	2382	2280	15.95
6	E	1108	1061	1.23
7	E	1108	1061	1.23
8	E	937	897	2.36
9	E	937	897	2.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.748
H3	0.000	1.024	-0.983
H4	0.887	-0.512	-0.983
H5	-0.887	-0.512	-0.983

	C1	F2	H3	H4	H5
C1		1.3789	1.0828	1.0828	1.0828
F2	1.3789		2.0111	2.0111	2.0111
H3	1.0828	2.0111		1.7737	1.7737
H4	1.0828	2.0111	1.7737		1.7737
H5	1.0828	2.0111	1.7737	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	108.965	F2	C1	D4	108.965
F2	C1	D5	108.965	D3	C1	D4	109.973
D3	C1	D5	109.973	D4	C1	D5	109.973

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

using model chemistry: MP2=FULL/cc-pVQZ

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=FULL/cc-pVQZ

States and conformations

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