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	hartrees
Energy at 0K	-139.355176
Energy at 298.15K	-139.353193
HF Energy	-139.033600
Nuclear repulsion energy	37.134941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2199	2094	22.26
2	A₁	1213	1155	52.07
3	A₁	1021	972	40.08
4	E	2346	2234	28.79
5	E	2346	2234	28.79
6	E	1124	1070	0.25
7	E	1124	1070	0.25
8	E	930	886	1.81
9	E	930	886	1.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.636
F2	0.000	0.000	0.756
H3	0.000	1.035	-0.995
H4	0.897	-0.518	-0.995
H5	-0.897	-0.518	-0.995

	C1	F2	H3	H4	H5
C1		1.3920	1.0955	1.0955	1.0955
F2	1.3920		2.0335	2.0335	2.0335
H3	1.0955	2.0335		1.7930	1.7930
H4	1.0955	2.0335	1.7930		1.7930
H5	1.0955	2.0335	1.7930	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.091	F2	C1	D4	109.091
F2	C1	D5	109.091	D3	C1	D4	109.849
D3	C1	D5	109.849	D4	C1	D5	109.848

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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