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	hartrees
Energy at 0K	-1034.587522
Energy at 298.15K	-1034.579378
HF Energy	-1032.408134
Nuclear repulsion energy	540.799422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1548	1458	81.23
2	A'	1424	1342	259.56
3	A'	1281	1207	278.53
4	A'	1097	1034	330.54
5	A'	833	785	41.07
6	A'	704	664	20.81
7	A'	604	569	9.47
8	A'	481	453	1.04
9	A'	397	374	0.04
10	A'	344	324	1.55
11	A'	199	187	1.90
12	A"	1437	1354	326.54
13	A"	1380	1300	196.20
14	A"	651	613	1.67
15	A"	492	464	3.17
16	A"	366	345	0.10
17	A"	236	222	3.10
18	A"	75	71	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.100	-0.625	0.000
C2	-0.622	0.727	0.000
Cl3	1.838	-0.436	0.000
F4	-0.295	-1.305	1.094
F5	-0.295	-1.305	-1.094
F6	-1.943	0.509	0.000
F7	-0.295	1.428	1.091
F8	-0.295	1.428	-1.091

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5326	1.7483	1.3471	1.3471	2.3369	2.3586	2.3586
C2	1.5326		2.7205	2.3309	2.3309	1.3396	1.3373	1.3373
Cl3	1.7483	2.7205		2.5495	2.5495	3.8975	3.0356	3.0356
F4	1.3471	2.3309	2.5495		2.1879	2.6844	2.7335	3.4993
F5	1.3471	2.3309	2.5495	2.1879		2.6844	3.4993	2.7335
F6	2.3369	1.3396	3.8975	2.6844	2.6844		2.1798	2.1798
F7	2.3586	1.3373	3.0356	2.7335	3.4993	2.1798		2.1818
F8	2.3586	1.3373	3.0356	3.4993	2.7335	2.1798	2.1818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.679	C1	C2	F7	110.481
C1	C2	F8	110.481	C2	C1	Cl3	112.349
C2	C1	F4	108.064	C2	C1	F5	108.064
Cl3	C1	F4	109.852	Cl3	C1	F5	109.852
F4	C1	F5	108.562	F6	C2	F7	108.932
F6	C2	F8	108.932	F7	C2	F8	109.298

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)