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	hartrees
Energy at 0K	-1034.640217
Energy at 298.15K	-1034.632202
HF Energy	-1032.387818
Nuclear repulsion energy	540.944215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1529	1529	90.14
2	A'	1412	1412	290.55
3	A'	1269	1269	298.86
4	A'	1090	1090	346.88
5	A'	836	836	41.98
6	A'	711	711	21.19
7	A'	611	611	9.69
8	A'	483	483	0.90
9	A'	399	399	0.05
10	A'	342	342	1.72
11	A'	198	198	2.15
12	A"	1426	1426	366.99
13	A"	1368	1368	204.86
14	A"	655	655	1.94
15	A"	496	496	3.07
16	A"	367	367	0.10
17	A"	235	235	3.57
18	A"	73	73	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-0.625	0.000
C2	-0.621	0.739	0.000
Cl3	1.833	-0.468	0.000
F4	-0.298	-1.290	1.067
F5	-0.298	-1.290	-1.067
F6	-1.915	0.541	0.000
F7	-0.298	1.424	1.065
F8	-0.298	1.424	-1.065

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5377	1.7505	1.3157	1.3157	2.3190	2.3416	2.3416
C2	1.5377		2.7342	2.3148	2.3148	1.3089	1.3067	1.3067
Cl3	1.7505	2.7342		2.5216	2.5216	3.8811	3.0422	3.0422
F4	1.3157	2.3148	2.5216		2.1335	2.6655	2.7140	3.4512
F5	1.3157	2.3148	2.5216	2.1335		2.6655	3.4512	2.7140
F6	2.3190	1.3089	3.8811	2.6655	2.6655		2.1271	2.1271
F7	2.3416	1.3067	3.0422	2.7140	3.4512	2.1271		2.1301
F8	2.3416	1.3067	3.0422	3.4512	2.7140	2.1271	2.1301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.843	C1	C2	F7	110.554
C1	C2	F8	110.554	C2	C1	Cl3	112.344
C2	C1	F4	108.184	C2	C1	F5	108.184
Cl3	C1	F4	109.837	Cl3	C1	F5	109.837
F4	C1	F5	108.351	F6	C2	F7	108.830
F6	C2	F8	108.830	F7	C2	F8	109.191

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)