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	hartrees
Energy at 0K	-1033.651842
Energy at 298.15K	-1033.654390
HF Energy	-1032.404786
Nuclear repulsion energy	534.775675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1449	1372	62.68
2	A'	1331	1259	217.90
3	A'	1201	1137	224.51
4	A'	1036	981	263.59
5	A'	776	735	29.74
6	A'	654	619	18.26
7	A'	563	533	6.90
8	A'	453	429	1.23
9	A'	370	350	0.04
10	A'	325	307	1.15
11	A'	189	179	1.58
12	A"	1342	1271	272.83
13	A"	1282	1213	160.57
14	A"	608	576	1.21
15	A"	459	435	2.43
16	A"	343	324	0.04
17	A"	222	210	2.43
18	A"	73	69	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.093	-0.632	0.000
C2	-0.626	0.732	0.000
Cl3	1.841	-0.433	0.000
F4	-0.295	-1.304	1.093
F5	-0.295	-1.304	-1.093
F6	-1.942	0.510	0.000
F7	-0.295	1.425	1.089
F8	-0.295	1.425	-1.089

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5422	1.7595	1.3407	1.3407	2.3342	2.3598	2.3598
C2	1.5422		2.7288	2.3349	2.3349	1.3348	1.3327	1.3327
Cl3	1.7595	2.7288		2.5533	2.5533	3.8996	3.0339	3.0339
F4	1.3407	2.3349	2.5533		2.1857	2.6834	2.7295	3.4946
F5	1.3407	2.3349	2.5533	2.1857		2.6834	3.4946	2.7295
F6	2.3342	1.3348	3.8996	2.6834	2.6834		2.1763	2.1763
F7	2.3598	1.3327	3.0339	2.7295	3.4946	2.1763		2.1787
F8	2.3598	1.3327	3.0339	3.4946	2.7295	2.1763	2.1787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.237	C1	C2	F7	110.124
C1	C2	F8	110.124	C2	C1	Cl3	111.313
C2	C1	F4	107.969	C2	C1	F5	107.969
Cl3	C1	F4	110.160	Cl3	C1	F5	110.160
F4	C1	F5	109.200	F6	C2	F7	109.343
F6	C2	F8	109.343	F7	C2	F8	109.645

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CCD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)