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	hartrees
Energy at 0K	-139.335856
Energy at 298.15K
HF Energy	-139.033786
Nuclear repulsion energy	37.176266

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.633
F2	0.000	0.000	0.755
H3	0.000	1.030	-0.999
H4	0.892	-0.515	-0.999
H5	-0.892	-0.515	-0.999

	C1	F2	H3	H4	H5
C1		1.3876	1.0934	1.0934	1.0934
F2	1.3876		2.0344	2.0344	2.0344
H3	1.0934	2.0344		1.7842	1.7842
H4	1.0934	2.0344	1.7842		1.7842
H5	1.0934	2.0344	1.7842	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.592	F2	C1	D4	109.592
F2	C1	D5	109.592	D3	C1	D4	109.350
D3	C1	D5	109.350	D4	C1	D5	109.350

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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