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	hartrees
Energy at 0K	-139.600549
Energy at 298.15K	-139.598569
HF Energy	-139.500402
Nuclear repulsion energy	37.284476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2206	2092	24.45
2	A₁	1215	1152	53.06
3	A₁	1023	970	42.34
4	E	2351	2230	30.26
5	E	2351	2230	30.26
6	E	1124	1066	0.30
7	E	1124	1066	0.30
8	E	934	886	1.64
9	E	934	886	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.632
F2	0.000	0.000	0.753
H3	0.000	1.031	-0.995
H4	0.893	-0.515	-0.995
H5	-0.893	-0.515	-0.995

	C1	F2	H3	H4	H5
C1		1.3846	1.0929	1.0929	1.0929
F2	1.3846		2.0291	2.0291	2.0291
H3	1.0929	2.0291		1.7854	1.7854
H4	1.0929	2.0291	1.7854		1.7854
H5	1.0929	2.0291	1.7854	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	109.408	F2	C1	D4	109.408
F2	C1	D5	109.408	D3	C1	D4	109.534
D3	C1	D5	109.534	D4	C1	D5	109.534

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G*

States and conformations

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