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	hartrees
Energy at 0K	-376.587306
Energy at 298.15K	-376.591998
HF Energy	-375.817616
Nuclear repulsion energy	200.695554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	2966	0.23
2	A₁	1496	1411	99.64
3	A₁	1344	1267	137.86
4	A₁	849	801	5.87
5	A₁	605	571	23.16
6	A₂	264	249	0.00
7	E	3250	3065	2.54
7	E	3250	3065	2.54
8	E	1548	1460	0.35
8	E	1548	1460	0.35
9	E	1310	1235	233.06
9	E	1310	1235	233.06
10	E	1017	959	49.42
10	E	1017	959	49.42
11	E	538	507	1.34
11	E	538	507	1.34
12	E	367	346	0.62
12	E	367	346	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.498
C2	0.000	0.000	0.011
H3	0.000	-0.973	1.835
H4	0.843	0.487	1.835
H5	-0.843	0.487	1.835
F6	0.000	1.571	-0.539
F7	-1.360	-0.785	-0.539
F8	1.360	-0.785	-0.539

	C1	C2	H3	H4	H5	F6	F7	F8
C1		1.4871	1.0297	1.0297	1.0297	2.5726	2.5726	2.5726
C2	1.4871		2.0670	2.0670	2.0670	1.6644	1.6644	1.6644
H3	1.0297	2.0670		1.6856	1.6856	3.4796	2.7425	2.7425
H4	1.0297	2.0670	1.6856		1.6856	2.7425	3.4796	2.7425
H5	1.0297	2.0670	1.6856	1.6856		2.7425	2.7425	3.4796
F6	2.5726	1.6644	3.4796	2.7425	2.7425		2.7207	2.7207
F7	2.5726	1.6644	2.7425	3.4796	2.7425	2.7207		2.7207
F8	2.5726	1.6644	2.7425	2.7425	3.4796	2.7207	2.7207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.307	C1	C2	F7	109.307
C1	C2	F8	109.307	C2	C1	H3	109.077
C2	C1	H4	109.077	C2	C1	H5	109.077
H3	C1	H4	109.862	H3	C1	H5	109.862
H4	C1	H5	109.862	F6	C2	F7	109.635
F6	C2	F8	109.635	F7	C2	F8	109.635

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-)