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	hartrees
Energy at 0K	-376.610899
Energy at 298.15K	-376.615600
HF Energy	-375.822848
Nuclear repulsion energy	200.789710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	2966	0.44
2	A₁	1494	1399	94.22
3	A₁	1340	1255	140.18
4	A₁	849	795	5.42
5	A₁	605	567	22.93
6	A₂	261	244	0.00
7	E	3278	3070	3.48
7	E	3278	3070	3.48
8	E	1546	1448	0.05
8	E	1546	1448	0.05
9	E	1306	1223	230.20
9	E	1306	1223	230.20
10	E	1017	952	48.83
10	E	1017	952	48.83
11	E	538	504	1.44
11	E	538	504	1.44
12	E	367	343	0.54
12	E	367	343	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.471
C2	0.000	0.000	-0.026
H3	0.000	-1.025	1.828
H4	0.888	0.513	1.828
H5	-0.888	0.513	1.828
F6	0.000	1.259	-0.524
F7	-1.090	-0.629	-0.524
F8	1.090	-0.629	-0.524

	C1	C2	H3	H4	H5	F6	F7	F8
C1		1.4970	1.0856	1.0856	1.0856	2.3592	2.3592	2.3592
C2	1.4970		2.1185	2.1185	2.1185	1.3537	1.3537	1.3537
H3	1.0856	2.1185		1.7759	1.7759	3.2787	2.6226	2.6226
H4	1.0856	2.1185	1.7759		1.7759	2.6226	3.2787	2.6226
H5	1.0856	2.1185	1.7759	1.7759		2.6226	2.6226	3.2787
F6	2.3592	1.3537	3.2787	2.6226	2.6226		2.1801	2.1801
F7	2.3592	1.3537	2.6226	3.2787	2.6226	2.1801		2.1801
F8	2.3592	1.3537	2.6226	2.6226	3.2787	2.1801	2.1801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.600	C1	C2	F7	111.600
C1	C2	F8	111.600	C2	C1	H3	109.193
C2	C1	H4	109.193	C2	C1	H5	109.193
H3	C1	H4	109.748	H3	C1	H5	109.748
H4	C1	H5	109.748	F6	C2	F7	107.261
F6	C2	F8	107.261	F7	C2	F8	107.261

All results from a given calculation for CH₃CF₃ (Ethane, 1,1,1-trifluoro-)

using model chemistry: MP2/6-31G**

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 CH3CF3 (Ethane, 1,1,1-trifluoro-)

using model chemistry: MP2/6-31G**

States and conformations

All results from a given calculation for CH₃CF₃ (Ethane, 1,1,1-trifluoro-)