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	hartrees
Energy at 0K	-84.740807
Energy at 298.15K	-84.745185
HF Energy	-84.214970
Nuclear repulsion energy	110.033124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3023	2951	0.91
2	A₁	1473	1437	41.36
3	A₁	1268	1238	163.25
4	A₁	741	724	15.95
5	A₁	536	523	32.28
6	A₂	221	216	0.00
7	E	3149	3073	4.75
7	E	3149	3073	4.75
8	E	1512	1476	4.69
8	E	1512	1476	4.69
9	E	1208	1179	153.63
9	E	1208	1179	153.63
10	E	925	903	124.58
10	E	925	903	124.58
11	E	475	463	1.71
11	E	475	463	1.71
12	E	334	326	0.96
12	E	334	326	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.524
C2	0.000	0.000	-0.001
H3	0.000	-1.039	1.878
H4	0.900	0.519	1.878
H5	-0.900	0.519	1.878
F6	0.000	1.318	-0.547
F7	-1.141	-0.659	-0.547
F8	1.141	-0.659	-0.547

	C1	C2	H3	H4	H5	F6	F7	F8
C1		1.5248	1.0974	1.0974	1.0974	2.4543	2.4543	2.4543
C2	1.5248		2.1471	2.1471	2.1471	1.4263	1.4263	1.4263
H3	1.0974	2.1471		1.7991	1.7991	3.3812	2.7067	2.7067
H4	1.0974	2.1471	1.7991		1.7991	2.7067	3.3812	2.7067
H5	1.0974	2.1471	1.7991	1.7991		2.7067	2.7067	3.3812
F6	2.4543	1.4263	3.3812	2.7067	2.7067		2.2825	2.2825
F7	2.4543	1.4263	2.7067	3.3812	2.7067	2.2825		2.2825
F8	2.4543	1.4263	2.7067	2.7067	3.3812	2.2825	2.2825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.493	C1	C2	F7	112.493
C1	C2	F8	112.493	C2	C1	H3	108.831
C2	C1	H4	108.831	C2	C1	H5	108.831
H3	C1	H4	110.103	H3	C1	H5	110.103
H4	C1	H5	110.103	F6	C2	F7	106.288
F6	C2	F8	106.288	F7	C2	F8	106.288

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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