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	hartrees
Energy at 0K	-139.234017
Energy at 298.15K	-139.231970
HF Energy	-139.029444
Nuclear repulsion energy	35.797814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2193	2112	22.90
2	A₁	1131	1090	14.41
3	A₁	912	879	53.86
4	E	2380	2292	27.74
5	E	2380	2292	27.74
6	E	1115	1073	1.53
7	E	1115	1073	1.53
8	E	865	833	1.70
9	E	865	833	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.682
F2	0.000	0.000	0.791
H3	0.000	1.048	-1.010
H4	0.908	-0.524	-1.010
H5	-0.908	-0.524	-1.010

	C1	F2	H3	H4	H5
C1		1.4737	1.0979	1.0979	1.0979
F2	1.4737		2.0837	2.0837	2.0837
H3	1.0979	2.0837		1.8151	1.8151
H4	1.0979	2.0837	1.8151		1.8151
H5	1.0979	2.0837	1.8151	1.8151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	107.347	F2	C1	D4	107.347
F2	C1	D5	107.347	D3	C1	D4	111.509
D3	C1	D5	111.509	D4	C1	D5	111.509

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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