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	hartrees
Energy at 0K	-139.404137
Energy at 298.15K	-139.402145
HF Energy	-139.045019
Nuclear repulsion energy	37.786183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2185	2105
2	A₁	1179	1135
3	A₁	1011	974
4	E	2333	2247
5	E	2333	2247
6	E	1081	1041
7	E	1080	1041
8	E	922	888
9	E	922	888

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.754
H3	0.000	1.041	-1.000
H4	0.902	-0.521	-1.000
H5	-0.902	-0.521	-1.000

	C1	F2	H3	H4	H5
C1		1.3848	1.1049	1.1049	1.1049
F2	1.3848		2.0398	2.0398	2.0398
H3	1.1049	2.0398		1.8037	1.8037
H4	1.1049	2.0398	1.8037		1.8037
H5	1.1049	2.0398	1.8037	1.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.520	F2	C1	D4	109.520
F2	C1	D5	109.520	D3	C1	D4	109.423
D3	C1	D5	109.423	D4	C1	D5	109.423

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

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

States and conformations

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