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	hartrees
Energy at 0K	-139.589851
Energy at 298.15K	-139.587883
HF Energy	-139.097615
Nuclear repulsion energy	37.478228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2207	2099	24.88
2	A₁	1186	1128	47.79
3	A₁	1028	977	57.58
4	E	2342	2227	17.34
5	E	2342	2227	17.34
6	E	1118	1063	1.31
7	E	1118	1063	1.31
8	E	940	894	3.02
9	E	940	894	3.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.748
H3	0.000	1.028	-0.981
H4	0.891	-0.514	-0.981
H5	-0.891	-0.514	-0.981

	C1	F2	H3	H4	H5
C1		1.3794	1.0863	1.0863	1.0863
F2	1.3794		2.0118	2.0118	2.0118
H3	1.0863	2.0118		1.7813	1.7813
H4	1.0863	2.0118	1.7813		1.7813
H5	1.0863	2.0118	1.7813	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	108.781	F2	C1	D4	108.781
F2	C1	D5	108.781	D3	C1	D4	110.152
D3	C1	D5	110.152	D4	C1	D5	110.152

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

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVTZ

States and conformations

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