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	hartrees
Energy at 0K	-376.799672
Energy at 298.15K	-376.804391
HF Energy	-375.917592
Nuclear repulsion energy	201.563735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	2964	0.50
2	A₁	1480	1406	118.60
3	A₁	1329	1263	151.77
4	A₁	849	807	6.46
5	A₁	614	583	24.30
6	A₂	253	240	0.00
7	E	3224	3064	3.51
7	E	3224	3064	3.51
8	E	1524	1449	0.55
8	E	1524	1449	0.55
9	E	1285	1221	254.02
9	E	1285	1221	254.02
10	E	1003	954	57.94
10	E	1003	954	57.94
11	E	549	522	1.22
11	E	549	522	1.22
12	E	372	354	0.53
12	E	372	354	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.499
C2	0.000	0.000	0.012
H3	0.000	-0.973	1.836
H4	0.843	0.487	1.836
H5	-0.843	0.487	1.836
F6	0.000	1.570	-0.540
F7	-1.360	-0.785	-0.540
F8	1.360	-0.785	-0.540

	C1	C2	H3	H4	H5	F6	F7	F8
C1		1.4869	1.0297	1.0297	1.0297	2.5736	2.5736	2.5736
C2	1.4869		2.0668	2.0668	2.0668	1.6645	1.6645	1.6645
H3	1.0297	2.0668		1.6855	1.6855	3.4803	2.7438	2.7438
H4	1.0297	2.0668	1.6855		1.6855	2.7438	3.4803	2.7438
H5	1.0297	2.0668	1.6855	1.6855		2.7438	2.7438	3.4803
F6	2.5736	1.6645	3.4803	2.7438	2.7438		2.7198	2.7198
F7	2.5736	1.6645	2.7438	3.4803	2.7438	2.7198		2.7198
F8	2.5736	1.6645	2.7438	2.7438	3.4803	2.7198	2.7198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.376	C1	C2	F7	109.376
C1	C2	F8	109.376	C2	C1	H3	109.078
C2	C1	H4	109.078	C2	C1	H5	109.078
H3	C1	H4	109.862	H3	C1	H5	109.862
H4	C1	H5	109.862	F6	C2	F7	109.566
F6	C2	F8	109.566	F7	C2	F8	109.566

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-)