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	hartrees
Energy at 0K	-139.407794
Energy at 298.15K	-139.405800
HF Energy	-139.044158
Nuclear repulsion energy	37.107160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2180	2077
2	A₁	1176	1121
3	A₁	1008	961
4	E	2327	2218
5	E	2327	2218
6	E	1079	1028
7	E	1079	1028
8	E	920	877
9	E	920	877

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.755
H3	0.000	1.042	-1.001
H4	0.903	-0.521	-1.001
H5	-0.903	-0.521	-1.001

	C1	F2	H3	H4	H5
C1		1.3859	1.1060	1.1060	1.1060
F2	1.3859		2.0415	2.0415	2.0415
H3	1.1060	2.0415		1.8057	1.8057
H4	1.1060	2.0415	1.8057		1.8057
H5	1.1060	2.0415	1.8057	1.8057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.507	F2	C1	D4	109.507
F2	C1	D5	109.507	D3	C1	D4	109.435
D3	C1	D5	109.435	D4	C1	D5	109.435

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

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

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