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	hartrees
Energy at 0K	-145.006961
Energy at 298.15K	-145.009786
HF Energy	-145.006961
Nuclear repulsion energy	252.556884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1527	1380	81.67
2	A'	1401	1266	280.43
3	A'	1266	1143	299.38
4	A'	1086	981	324.98
5	A'	830	750	39.12
6	A'	702	635	21.41
7	A'	602	544	8.21
8	A'	479	433	1.54
9	A'	393	355	0.03
10	A'	339	306	1.77
11	A'	196	177	1.76
12	A"	1414	1277	347.49
13	A"	1358	1227	219.92
14	A"	645	583	1.79
15	A"	488	441	2.70
16	A"	360	325	0.07
17	A"	237	215	3.16
18	A"	75	68	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-0.635	0.000
C2	-0.625	0.745	0.000
Cl3	1.841	-0.468	0.000
F4	-0.298	-1.305	1.073
F5	-0.298	-1.305	-1.073
F6	-1.928	0.554	0.000
F7	-0.298	1.433	1.072
F8	-0.298	1.433	-1.072

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5551	1.7594	1.3228	1.3228	2.3427	2.3621	2.3621
C2	1.5551		2.7491	2.3371	2.3371	1.3170	1.3150	1.3150
Cl3	1.7594	2.7491		2.5356	2.5356	3.9059	3.0566	3.0566
F4	1.3228	2.3371	2.5356		2.1455	2.6951	2.7384	3.4782
F5	1.3228	2.3371	2.5356	2.1455		2.6951	3.4782	2.7384
F6	2.3427	1.3170	3.9059	2.6951	2.6951		2.1400	2.1400
F7	2.3621	1.3150	3.0566	2.7384	3.4782	2.1400		2.1438
F8	2.3621	1.3150	3.0566	3.4782	2.7384	2.1400	2.1438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.025	C1	C2	F7	110.494
C1	C2	F8	110.494	C2	C1	Cl3	111.933
C2	C1	F4	108.329	C2	C1	F5	108.329
Cl3	C1	F4	109.892	Cl3	C1	F5	109.892
F4	C1	F5	108.376	F6	C2	F7	108.794
F6	C2	F8	108.794	F7	C2	F8	109.200

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: HF/CEP-121G*

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	0.588
2	C	0.773
3	Cl	-0.100
4	F	-0.258
5	F	-0.258
6	F	-0.253
7	F	-0.246
8	F	-0.246

	x	y	z	Total
	0.523	0.028	0.000	0.524
CHELPG
AIM
ESP

	x	y	z
x	5.976	0.018	0.000
y	0.018	4.359	0.000
z	0.000	0.000	4.239

<r²>	176.606
(<r²>)^1/2	13.289

All results from a given calculation for CF3CF2Cl (pentafluorochloroethane)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)