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	hartrees
Energy at 0K	-139.671121
Energy at 298.15K	-139.669136
HF Energy	-139.106988
Nuclear repulsion energy	37.426556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2187	2095
2	A₁	1164	1115
3	A₁	1015	972
4	E	2339	2240
5	E	2338	2240
6	E	1098	1052
7	E	1098	1052
8	E	927	888
9	E	927	888

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.632
F2	0.000	0.000	0.749
H3	0.000	1.029	-0.983
H4	0.891	-0.514	-0.983
H5	-0.891	-0.514	-0.983

	C1	F2	H3	H4	H5
C1		1.3817	1.0870	1.0870	1.0870
F2	1.3817		2.0147	2.0147	2.0147
H3	1.0870	2.0147		1.7821	1.7821
H4	1.0870	2.0147	1.7821		1.7821
H5	1.0870	2.0147	1.7821	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	108.811	F2	C1	D4	108.811
F2	C1	D5	108.811	D3	C1	D4	110.124
D3	C1	D5	110.124	D4	C1	D5	110.124

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

using model chemistry: CCSD(T)=FULL/aug-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: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

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