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	hartrees
Energy at 0K	-139.367361
Energy at 298.15K	-139.365374
HF Energy	-139.033491
Nuclear repulsion energy	37.101123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2192	2108
2	A₁	1207	1161
3	A₁	1013	974
4	E	2343	2253
5	E	2342	2252
6	E	1122	1079
7	E	1122	1079
8	E	927	891
9	E	927	891

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.637
F2	0.000	0.000	0.757
H3	0.000	1.035	-0.996
H4	0.897	-0.518	-0.996
H5	-0.897	-0.518	-0.996

	C1	F2	H3	H4	H5
C1		1.3934	1.0961	1.0961	1.0961
F2	1.3934		2.0360	2.0360	2.0360
H3	1.0961	2.0360		1.7935	1.7935
H4	1.0961	2.0360	1.7935		1.7935
H5	1.0961	2.0360	1.7935	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.152	F2	C1	D4	109.152
F2	C1	D5	109.152	D3	C1	D4	109.789
D3	C1	D5	109.789	D4	C1	D5	109.789

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

using model chemistry: MP4=FULL/6-31G*

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: MP4=FULL/6-31G*

States and conformations

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