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	hartrees
Energy at 0K	-1033.799813
Energy at 298.15K	-1033.802371
HF Energy	-1032.453321
Nuclear repulsion energy	533.866243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1426	1351	68.20
2	A'	1306	1237	259.26
3	A'	1174	1112	235.30
4	A'	1009	956	275.59
5	A'	772	731	31.99
6	A'	658	623	15.93
7	A'	565	536	7.33
8	A'	449	425	0.58
9	A'	370	351	0.03
10	A'	322	305	1.40
11	A'	186	176	1.71
12	A"	1320	1250	333.95
13	A"	1260	1194	159.66
14	A"	606	574	1.41
15	A"	459	434	2.26
16	A"	338	320	0.07
17	A"	220	208	2.85
18	A"	70	66	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-0.634	0.000
C2	-0.626	0.736	0.000
Cl3	1.847	-0.442	0.000
F4	-0.297	-1.313	1.088
F5	-0.297	-1.313	-1.088
F6	-1.944	0.532	0.000
F7	-0.297	1.431	1.086
F8	-0.297	1.431	-1.086

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5455	1.7679	1.3398	1.3398	2.3446	2.3651	2.3651
C2	1.5455		2.7397	2.3430	2.3430	1.3338	1.3310	1.3310
Cl3	1.7679	2.7397		2.5575	2.5575	3.9149	3.0474	3.0474
F4	1.3398	2.3430	2.5575		2.1765	2.7022	2.7442	3.5011
F5	1.3398	2.3430	2.5575	2.1765		2.7022	3.5011	2.7442
F6	2.3446	1.3338	3.9149	2.7022	2.7022		2.1685	2.1685
F7	2.3651	1.3310	3.0474	2.7442	3.5011	2.1685		2.1719
F8	2.3651	1.3310	3.0474	3.5011	2.7442	2.1685	2.1719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.816	C1	C2	F7	110.392
C1	C2	F8	110.392	C2	C1	Cl3	111.380
C2	C1	F4	108.380	C2	C1	F5	108.380
Cl3	C1	F4	109.999	Cl3	C1	F5	109.999
F4	C1	F5	108.634	F6	C2	F7	108.930
F6	C2	F8	108.930	F7	C2	F8	109.349

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)