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	hartrees
Energy at 0K	-1033.027693
Energy at 298.15K	-1033.029862
HF Energy	-1032.170536
Nuclear repulsion energy	517.165161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1332	1266	53.56
2	A'	1210	1150	174.17
3	A'	1088	1033	178.73
4	A'	942	895	251.84
5	A'	694	660	32.26
6	A'	588	559	21.82
7	A'	507	481	13.00
8	A'	408	387	1.32
9	A'	345	328	0.09
10	A'	305	290	1.60
11	A'	179	170	2.64
12	A"	1220	1159	224.67
13	A"	1162	1104	122.91
14	A"	562	534	1.42
15	A"	417	396	4.72
16	A"	314	299	0.10
17	A"	214	204	4.34
18	A"	68	65	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-0.625	0.000
C2	-0.643	0.727	0.000
Cl3	1.911	-0.441	0.000
F4	-0.306	-1.338	1.138
F5	-0.306	-1.338	-1.138
F6	-2.018	0.515	0.000
F7	-0.306	1.463	1.131
F8	-0.306	1.463	-1.131

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5377	1.8301	1.3998	1.3998	2.3966	2.4069	2.4069
C2	1.5377		2.8083	2.3815	2.3815	1.3915	1.3907	1.3907
Cl3	1.8301	2.8083		2.6479	2.6479	4.0437	3.1328	3.1328
F4	1.3998	2.3815	2.6479		2.2757	2.7677	2.8006	3.6041
F5	1.3998	2.3815	2.6479	2.2757		2.7677	3.6041	2.8006
F6	2.3966	1.3915	4.0437	2.7677	2.7677		2.2609	2.2609
F7	2.4069	1.3907	3.1328	2.8006	3.6041	2.2609		2.2616
F8	2.4069	1.3907	3.1328	3.6041	2.8006	2.2609	2.2616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.699	C1	C2	F7	110.448
C1	C2	F8	110.448	C2	C1	Cl3	112.706
C2	C1	F4	108.243	C2	C1	F5	108.243
Cl3	C1	F4	109.408	Cl3	C1	F5	109.408
F4	C1	F5	108.750	F6	C2	F7	108.701
F6	C2	F8	108.701	F7	C2	F8	108.800

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)