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	hartrees
Energy at 0K	-1028.145976
Energy at 298.15K	-1028.148284
HF Energy	-1027.216128
Nuclear repulsion energy	527.600211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1332	1263	76.14
2	A'	1309	1241	165.76
3	A'	1149	1089	169.75
4	A'	963	913	244.24
5	A'	722	684	41.39
6	A'	619	587	21.45
7	A'	538	510	15.02
8	A'	423	401	0.36
9	A'	353	335	0.15
10	A'	313	296	1.44
11	A'	186	176	3.20
12	A"	1322	1253	246.95
13	A"	1238	1174	63.25
14	A"	581	551	1.91
15	A"	432	410	4.79
16	A"	322	305	0.23
17	A"	205	194	4.19
18	A"	62	59	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.098	-0.629	0.000
C2	-0.628	0.716	0.000
Cl3	1.846	-0.400	0.000
F4	-0.289	-1.329	1.124
F5	-0.289	-1.329	-1.124
F6	-1.980	0.497	0.000
F7	-0.289	1.429	1.115
F8	-0.289	1.429	-1.115

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5290	1.7630	1.3795	1.3795	2.3640	2.3726	2.3726
C2	1.5290		2.7151	2.3582	2.3582	1.3694	1.3662	1.3662
Cl3	1.7630	2.7151		2.5853	2.5853	3.9304	3.0247	3.0247
F4	1.3795	2.3582	2.5853		2.2482	2.7312	2.7583	3.5524
F5	1.3795	2.3582	2.5853	2.2482		2.7312	3.5524	2.7583
F6	2.3640	1.3694	3.9304	2.7312	2.7312		2.2300	2.2300
F7	2.3726	1.3662	3.0247	2.7583	3.5524	2.2300		2.2292
F8	2.3726	1.3662	3.0247	3.5524	2.7583	2.2300	2.2292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.177	C1	C2	F7	109.943
C1	C2	F8	109.943	C2	C1	Cl3	110.925
C2	C1	F4	108.238	C2	C1	F5	108.238
Cl3	C1	F4	110.116	Cl3	C1	F5	110.116
F4	C1	F5	109.150	F6	C2	F7	109.210
F6	C2	F8	109.210	F7	C2	F8	109.339

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)