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	hartrees
Energy at 0K	-139.544752
Energy at 298.15K	-139.542780
HF Energy	-139.094608
Nuclear repulsion energy	37.485663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2194	2065	23.79
2	A₁	1193	1123	54.00
3	A₁	1032	972	44.99
4	E	2339	2202	22.70
5	E	2339	2202	22.70
6	E	1103	1038	0.65
7	E	1103	1038	0.65
8	E	939	884	2.68
9	E	939	884	2.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.629
F2	0.000	0.000	0.748
H3	0.000	1.028	-0.986
H4	0.891	-0.514	-0.986
H5	-0.891	-0.514	-0.986

	C1	F2	H3	H4	H5
C1		1.3767	1.0886	1.0886	1.0886
F2	1.3767		2.0160	2.0160	2.0160
H3	1.0886	2.0160		1.7811	1.7811
H4	1.0886	2.0160	1.7811		1.7811
H5	1.0886	2.0160	1.7811	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.162	F2	C1	D4	109.162
F2	C1	D5	109.162	D3	C1	D4	109.778
D3	C1	D5	109.778	D4	C1	D5	109.778

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

using model chemistry: CCSD/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/cc-pVTZ

States and conformations

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