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	hartrees
Energy at 0K	-1034.038184
Energy at 298.15K	-1034.040732
HF Energy	-1032.443871
Nuclear repulsion energy	537.922702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1422	1343	55.33
2	A'	1295	1223	236.16
3	A'	1178	1113	171.29
4	A'	1010	953	252.56
5	A'	777	734	33.48
6	A'	660	624	14.49
7	A'	566	535	6.38
8	A'	450	425	0.10
9	A'	371	351	0.02
10	A'	321	303	1.29
11	A'	183	173	1.23
12	A"	1314	1241	301.04
13	A"	1256	1186	92.25
14	A"	608	574	0.93
15	A"	458	432	1.59
16	A"	336	318	0.03
17	A"	217	205	1.80
18	A"	75	71	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	-0.633	0.000
C2	-0.622	0.730	0.000
Cl3	1.832	-0.430	0.000
F4	-0.294	-1.302	1.082
F5	-0.294	-1.302	-1.082
F6	-1.931	0.517	0.000
F7	-0.294	1.417	1.080
F8	-0.294	1.417	-1.080

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5373	1.7552	1.3287	1.3287	2.3242	2.3485	2.3485
C2	1.5373		2.7151	2.3257	2.3257	1.3258	1.3219	1.3219
Cl3	1.7552	2.7151		2.5400	2.5400	3.8806	3.0164	3.0164
F4	1.3287	2.3257	2.5400		2.1644	2.6760	2.7193	3.4743
F5	1.3287	2.3257	2.5400	2.1644		2.6760	3.4743	2.7193
F6	2.3242	1.3258	3.8806	2.6760	2.6760		2.1584	2.1584
F7	2.3485	1.3219	3.0164	2.7193	3.4743	2.1584		2.1606
F8	2.3485	1.3219	3.0164	3.4743	2.7193	2.1584	2.1606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.312	C1	C2	F7	110.221
C1	C2	F8	110.221	C2	C1	Cl3	110.933
C2	C1	F4	108.263	C2	C1	F5	108.263
Cl3	C1	F4	110.129	Cl3	C1	F5	110.129
F4	C1	F5	109.066	F6	C2	F7	109.218
F6	C2	F8	109.218	F7	C2	F8	109.620

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)