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	hartrees
Energy at 0K	-1033.695498
Energy at 298.15K	-1033.698052
HF Energy	-1032.424608
Nuclear repulsion energy	533.741578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1419	1337	59.18
2	A'	1293	1218	237.33
3	A'	1175	1107	232.52
4	A'	1024	965	251.68
5	A'	770	726	25.43
6	A'	649	611	18.31
7	A'	559	527	5.70
8	A'	454	428	2.16
9	A'	368	347	0.04
10	A'	323	304	1.01
11	A'	188	177	1.44
12	A"	1298	1224	300.74
13	A"	1237	1165	154.57
14	A"	601	566	1.32
15	A"	456	430	1.85
16	A"	342	322	0.00
17	A"	224	211	2.16
18	A"	79	75	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.102	-0.630	0.000
C2	-0.624	0.731	0.000
Cl3	1.838	-0.441	0.000
F4	-0.294	-1.314	1.092
F5	-0.294	-1.314	-1.092
F6	-1.946	0.527	0.000
F7	-0.294	1.433	1.090
F8	-0.294	1.433	-1.090

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5433	1.7460	1.3481	1.3481	2.3527	2.3669	2.3669
C2	1.5433		2.7269	2.3422	2.3422	1.3378	1.3374	1.3374
Cl3	1.7460	2.7269		2.5498	2.5498	3.9060	3.0405	3.0405
F4	1.3481	2.3422	2.5498		2.1838	2.7039	2.7475	3.5083
F5	1.3481	2.3422	2.5498	2.1838		2.7039	3.5083	2.7475
F6	2.3527	1.3378	3.9060	2.7039	2.7039		2.1768	2.1768
F7	2.3669	1.3374	3.0405	2.7475	3.5083	2.1768		2.1792
F8	2.3669	1.3374	3.0405	3.5083	2.7475	2.1768	2.1792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.279	C1	C2	F7	110.294
C1	C2	F8	110.294	C2	C1	Cl3	111.847
C2	C1	F4	108.015	C2	C1	F5	108.015
Cl3	C1	F4	110.330	Cl3	C1	F5	110.330
F4	C1	F5	108.186	F6	C2	F7	108.914
F6	C2	F8	108.914	F7	C2	F8	109.116

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CCD/6-31+G**

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 CF3CF2Cl (pentafluorochloroethane)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)