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	hartrees
Energy at 0K	-1033.790123
Energy at 298.15K	-1033.792704
HF Energy	-1032.453773
Nuclear repulsion energy	534.353582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1432	1370	70.01
2	A'	1318	1261	259.18
3	A'	1184	1133	238.48
4	A'	1015	972	274.16
5	A'	777	743	32.54
6	A'	661	633	16.22
7	A'	569	544	7.45
8	A'	451	432	0.68
9	A'	372	356	0.03
10	A'	323	309	1.40
11	A'	187	179	1.71
12	A"	1331	1274	331.48
13	A"	1272	1217	163.95
14	A"	610	583	1.48
15	A"	461	441	2.33
16	A"	340	325	0.07
17	A"	220	211	2.88
18	A"	71	68	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-0.634	0.000
C2	-0.626	0.736	0.000
Cl3	1.846	-0.443	0.000
F4	-0.297	-1.312	1.087
F5	-0.297	-1.312	-1.087
F6	-1.942	0.532	0.000
F7	-0.297	1.430	1.085
F8	-0.297	1.430	-1.085

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5459	1.7664	1.3380	1.3380	2.3432	2.3639	2.3639
C2	1.5459		2.7389	2.3416	2.3416	1.3319	1.3292	1.3292
Cl3	1.7664	2.7389		2.5550	2.5550	3.9119	3.0461	3.0461
F4	1.3380	2.3416	2.5550		2.1736	2.7000	2.7423	3.4978
F5	1.3380	2.3416	2.5550	2.1736		2.7000	3.4978	2.7423
F6	2.3432	1.3319	3.9119	2.7000	2.7000		2.1656	2.1656
F7	2.3639	1.3292	3.0461	2.7423	3.4978	2.1656		2.1691
F8	2.3639	1.3292	3.0461	3.4978	2.7423	2.1656	2.1691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.797	C1	C2	F7	110.387
C1	C2	F8	110.387	C2	C1	Cl3	111.383
C2	C1	F4	108.364	C2	C1	F5	108.364
Cl3	C1	F4	110.012	Cl3	C1	F5	110.012
F4	C1	F5	108.638	F6	C2	F7	108.938
F6	C2	F8	108.938	F7	C2	F8	109.360

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)