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	hartrees
Energy at 0K	-1035.156875
Energy at 298.15K	-1035.159332
HF Energy	-1035.156875
Nuclear repulsion energy	535.268465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1369	1314	77.39
2	A'	1256	1205	281.59
3	A'	1148	1102	227.96
4	A'	987	947	303.32
5	A'	770	739	37.93
6	A'	656	630	15.69
7	A'	558	536	7.60
8	A'	443	425	0.01
9	A'	365	350	0.04
10	A'	316	303	1.60
11	A'	182	175	1.62
12	A"	1271	1220	362.83
13	A"	1217	1168	153.32
14	A"	599	575	1.03
15	A"	455	436	1.58
16	A"	336	322	0.02
17	A"	216	207	2.63
18	A"	60	58	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	-0.634	0.000
C2	-0.624	0.739	0.000
Cl3	1.842	-0.453	0.000
F4	-0.296	-1.309	1.082
F5	-0.296	-1.309	-1.082
F6	-1.939	0.539	0.000
F7	-0.296	1.432	1.082
F8	-0.296	1.432	-1.082

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5467	1.7618	1.3327	1.3327	2.3426	2.3636	2.3636
C2	1.5467		2.7388	2.3395	2.3395	1.3295	1.3264	1.3264
Cl3	1.7618	2.7388		2.5442	2.5442	3.9084	3.0485	3.0485
F4	1.3327	2.3395	2.5442		2.1648	2.6996	2.7414	3.4928
F5	1.3327	2.3395	2.5442	2.1648		2.6996	3.4928	2.7414
F6	2.3426	1.3295	3.9084	2.6996	2.6996		2.1603	2.1603
F7	2.3636	1.3264	3.0485	2.7414	3.4928	2.1603		2.1639
F8	2.3636	1.3264	3.0485	3.4928	2.7414	2.1603	2.1639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.840	C1	C2	F7	110.469
C1	C2	F8	110.469	C2	C1	Cl3	111.581
C2	C1	F4	108.457	C2	C1	F5	108.457
Cl3	C1	F4	109.831	Cl3	C1	F5	109.831
F4	C1	F5	108.618	F6	C2	F7	108.858
F6	C2	F8	108.858	F7	C2	F8	109.311

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: HSEh1PBE/6-311G*

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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Number	Element	Mulliken
1	C	0.252
2	C	0.610
3	Cl	0.002
4	F	-0.169
5	F	-0.169
6	F	-0.181
7	F	-0.173
8	F	-0.173

	x	y	z	Total
	0.265	0.052	0.000	0.270
CHELPG
AIM
ESP

<r²>	249.289
(<r²>)^1/2	15.789

All results from a given calculation for CF3CF2Cl (pentafluorochloroethane)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)