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	hartrees
Energy at 0K	-206.883729
Energy at 298.15K	-206.886653
HF Energy	-205.669293
Nuclear repulsion energy	390.156848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1140	1113	228.11
2	A'	910	888	416.01
3	A'	747	729	188.38
4	A'	681	665	35.58
5	A'	636	621	209.72
6	A'	501	489	9.41
7	A'	487	475	0.06
8	A'	476	464	3.66
9	A'	407	397	45.27
10	A'	346	338	8.58
11	A'	273	267	0.20
12	A'	242	236	3.42
13	A'	230	225	8.98
14	A'	203	198	1.17
15	A'	142	138	0.43
16	A"	1139	1112	224.56
17	A"	748	730	189.01
18	A"	473	462	3.73
19	A"	348	340	8.43
20	A"	294	287	0.05
21	A"	271	265	0.18
22	A"	235	230	3.31
23	A"	149	146	0.27
24	A"	8	8	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.167	-0.653	0.000
C2	-0.382	1.382	0.000
F3	-1.760	1.457	0.000
F4	0.157	1.945	1.139
F5	0.157	1.945	-1.139
F6	-1.542	-1.245	0.000
F7	0.157	-0.695	-1.810
F8	1.900	-0.115	0.000
F9	0.157	-0.695	1.810
F10	0.731	-2.358	0.000

	S1	C2	F3	F4	F5	F6	F7	F8	F9	F10
S1		2.1075	2.8571	2.8360	2.8360	1.8093	1.8108	1.8145	1.8108	1.7958
C2	2.1075		1.3801	1.3798	1.3798	2.8720	2.8073	2.7294	2.8073	3.9018
F3	2.8571	1.3801		2.2827	2.2827	2.7104	3.4031	3.9834	3.4031	4.5556
F4	2.8360	1.3798	2.2827		2.2772	3.7894	3.9576	2.9286	2.7236	4.4873
F5	2.8360	1.3798	2.2827	2.2772		3.7894	2.7236	2.9286	3.9576	4.4873
F6	1.8093	2.8720	2.7104	3.7894	3.7894		2.5433	3.6233	2.5433	2.5310
F7	1.8108	2.8073	3.4031	3.9576	2.7236	2.5433		2.5791	3.6205	2.5242
F8	1.8145	2.7294	3.9834	2.9286	2.9286	3.6233	2.5791		2.5791	2.5292
F9	1.8108	2.8073	3.4031	2.7236	3.9576	2.5433	3.6205	2.5791		2.5242
F10	1.7958	3.9018	4.5556	4.4873	4.4873	2.5310	2.5242	2.5292	2.5242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	F3	108.200	S1	C2	F4	106.969
S1	C2	F5	106.969	C2	S1	D6	94.009
C2	S1	D7	91.206	C2	S1	F8	87.869
C2	S1	F9	91.206	C2	S1	F10	176.808
F3	C2	F4	111.605	F3	C2	F5	111.605
F4	C2	F5	111.222	D6	S1	D7	89.263
D6	S1	F8	178.121	D6	S1	F9	89.263
D6	S1	F10	89.183	D7	S1	F8	90.699
D7	S1	F9	177.256	D7	S1	F10	88.833
F8	S1	F9	90.699	F8	S1	F10	88.938
F9	S1	F10	88.833

All results from a given calculation for SF₅CF₃ (Sulfur, pentafluoro(trifluoromethyl)-)

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 SF5CF3 (Sulfur, pentafluoro(trifluoromethyl)-)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for SF₅CF₃ (Sulfur, pentafluoro(trifluoromethyl)-)