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	hartrees
Energy at 0K	-376.627912
Energy at 298.15K	-376.632569
HF Energy	-375.817417
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3094	2977
2	A₁	1482	1426
3	A₁	1336	1285
4	A₁	843	811
5	A₁	601	579
6	A₂	252	242
7	E	3188	3067
7	E	3187	3067
8	E	1528	1470
8	E	1527	1470
9	E	1310	1261
9	E	1310	1261
10	E	1012	974
10	E	1012	974
11	E	535	515
11	E	535	515
12	E	363	350
12	E	363	350

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.476
C2	0.000	0.000	-0.027
H3	0.000	-1.034	1.835
H4	0.895	0.517	1.835
H5	-0.895	0.517	1.835
F6	0.000	1.259	-0.526
F7	-1.090	-0.629	-0.526
F8	1.090	-0.629	-0.526

	C1	C2	H3	H4	H5	F6	F7	F8
C1		1.5024	1.0943	1.0943	1.0943	2.3644	2.3644	2.3644
C2	1.5024		2.1295	2.1295	2.1295	1.3539	1.3540	1.3540
H3	1.0943	2.1295		1.7902	1.7902	3.2907	2.6317	2.6317
H4	1.0943	2.1295	1.7902		1.7902	2.6317	3.2907	2.6317
H5	1.0943	2.1295	1.7902	1.7902		2.6317	2.6317	3.2907
F6	2.3644	1.3539	3.2907	2.6317	2.6317		2.1799	2.1799
F7	2.3644	1.3540	2.6317	3.2907	2.6317	2.1799		2.1799
F8	2.3644	1.3540	2.6317	2.6317	3.2907	2.1799	2.1799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.638	C1	C2	F7	111.638
C1	C2	F8	111.638	C2	C1	H3	109.174
C2	C1	H4	109.174	C2	C1	H5	109.174
H3	C1	H4	109.767	H3	C1	H5	109.767
H4	C1	H5	109.767	F6	C2	F7	107.220
F6	C2	F8	107.220	F7	C2	F8	107.221

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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