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	hartrees
Energy at 0K	-376.821474
Energy at 298.15K	-376.826189
HF Energy	-375.922513
Nuclear repulsion energy	201.595042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	2963	0.52
2	A₁	1464	1391	121.72
3	A₁	1322	1256	145.42
4	A₁	849	807	5.76
5	A₁	613	582	24.15
6	A₂	246	234	0.00
7	E	3224	3063	3.55
7	E	3224	3063	3.55
8	E	1506	1431	0.12
8	E	1506	1431	0.12
9	E	1277	1214	253.91
9	E	1277	1214	253.91
10	E	996	947	53.03
10	E	996	947	53.03
11	E	549	522	1.36
11	E	549	522	1.36
12	E	371	353	0.45
12	E	371	353	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.470
C2	0.000	0.000	-0.029
H3	0.000	-1.029	1.828
H4	0.891	0.515	1.828
H5	-0.891	0.515	1.828
F6	0.000	1.251	-0.523
F7	-1.083	-0.626	-0.523
F8	1.083	-0.626	-0.523

	C1	C2	H3	H4	H5	F6	F7	F8
C1		1.4995	1.0897	1.0897	1.0897	2.3536	2.3536	2.3536
C2	1.4995		2.1235	2.1235	2.1235	1.3450	1.3450	1.3450
H3	1.0897	2.1235		1.7827	1.7827	3.2755	2.6203	2.6203
H4	1.0897	2.1235	1.7827		1.7827	2.6203	3.2755	2.6203
H5	1.0897	2.1235	1.7827	1.7827		2.6203	2.6203	3.2755
F6	2.3536	1.3450	3.2755	2.6203	2.6203		2.1668	2.1668
F7	2.3536	1.3450	2.6203	3.2755	2.6203	2.1668		2.1668
F8	2.3536	1.3450	2.6203	2.6203	3.2755	2.1668	2.1668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.549	C1	C2	F7	111.549
C1	C2	F8	111.549	C2	C1	H3	109.173
C2	C1	H4	109.173	C2	C1	H5	109.173
H3	C1	H4	109.768	H3	C1	H5	109.768
H4	C1	H5	109.768	F6	C2	F7	107.316
F6	C2	F8	107.316	F7	C2	F8	107.316

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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