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	hartrees
Energy at 0K	-139.557966
Energy at 298.15K	-139.555988
HF Energy	-139.097369
Nuclear repulsion energy	37.350004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2191	2109	25.14
2	A₁	1173	1129	45.69
3	A₁	1018	979	59.40
4	E	2340	2252	17.76
5	E	2340	2252	17.76
6	E	1106	1065	1.18
7	E	1106	1065	1.18
8	E	930	895	2.99
9	E	930	895	2.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.634
F2	0.000	0.000	0.751
H3	0.000	1.031	-0.984
H4	0.893	-0.516	-0.984
H5	-0.893	-0.516	-0.984

	C1	F2	H3	H4	H5
C1		1.3848	1.0890	1.0890	1.0890
F2	1.3848		2.0179	2.0179	2.0179
H3	1.0890	2.0179		1.7864	1.7864
H4	1.0890	2.0179	1.7864		1.7864
H5	1.0890	2.0179	1.7864	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	D3	108.725	F2	C1	D4	108.725
F2	C1	D5	108.725	D3	C1	D4	110.207
D3	C1	D5	110.207	D4	C1	D5	110.207

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVTZ

States and conformations

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