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	hartrees
Energy at 0K	-139.528578
Energy at 298.15K	-139.526604
HF Energy	-139.094545
Nuclear repulsion energy	37.437619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2211	2099	23.84
2	A₁	1183	1123	48.66
3	A₁	1026	974	46.54
4	E	2367	2247	19.78
5	E	2367	2247	19.78
6	E	1104	1048	0.79
7	E	1104	1048	0.79
8	E	935	888	2.33
9	E	935	888	2.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.750
H3	0.000	1.027	-0.987
H4	0.889	-0.513	-0.987
H5	-0.889	-0.513	-0.987

	C1	F2	H3	H4	H5
C1		1.3805	1.0868	1.0868	1.0868
F2	1.3805		2.0178	2.0178	2.0178
H3	1.0868	2.0178		1.7782	1.7782
H4	1.0868	2.0178	1.7782		1.7782
H5	1.0868	2.0178	1.7782	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.157	F2	C1	D4	109.157
F2	C1	D5	109.157	D3	C1	D4	109.783
D3	C1	D5	109.783	D4	C1	D5	109.783

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

using model chemistry: MP2/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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All results from a given calculation for CD3F (methylfluoride-d3)

using model chemistry: MP2/cc-pVTZ

States and conformations

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