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	hartrees
Energy at 0K	-139.641870
Energy at 298.15K	-139.639892
HF Energy	-139.107075
Nuclear repulsion energy	37.470419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2218	2121	24.97
2	A₁	1169	1118	43.03
3	A₁	1020	975	60.29
4	E	2380	2277	13.79
5	E	2380	2277	13.79
6	E	1108	1060	1.73
7	E	1108	1060	1.73
8	E	933	893	2.52
9	E	933	893	2.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.633
F2	0.000	0.000	0.749
H3	0.000	1.026	-0.982
H4	0.888	-0.513	-0.982
H5	-0.888	-0.513	-0.982

	C1	F2	H3	H4	H5
C1		1.3816	1.0834	1.0834	1.0834
F2	1.3816		2.0119	2.0119	2.0119
H3	1.0834	2.0119		1.7764	1.7764
H4	1.0834	2.0119	1.7764		1.7764
H5	1.0834	2.0119	1.7764	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	108.805	F2	C1	D4	108.805
F2	C1	D5	108.805	D3	C1	D4	110.129
D3	C1	D5	110.129	D4	C1	D5	110.129

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pVQZ

States and conformations

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