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	hartrees
Energy at 0K	-1032.880444
Energy at 298.15K	-1032.882861
HF Energy	-1032.177064
Nuclear repulsion energy	523.402921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1409	1321	64.31
2	A'	1306	1225	185.10
3	A'	1166	1093	202.89
4	A'	999	937	255.94
5	A'	738	692	38.55
6	A'	621	583	27.63
7	A'	534	501	14.22
8	A'	431	404	3.43
9	A'	362	339	0.08
10	A'	318	298	1.64
11	A'	186	174	2.91
12	A"	1316	1234	240.12
13	A"	1261	1182	138.16
14	A"	590	553	2.05
15	A"	438	411	6.13
16	A"	330	310	0.17
17	A"	223	209	4.93
18	A"	72	68	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	-0.621	0.000
C2	-0.638	0.724	0.000
Cl3	1.892	-0.443	0.000
F4	-0.304	-1.322	1.120
F5	-0.304	-1.322	-1.120
F6	-1.993	0.516	0.000
F7	-0.304	1.448	1.114
F8	-0.304	1.448	-1.114

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5298	1.8113	1.3783	1.3783	2.3729	2.3831	2.3831
C2	1.5298		2.7862	2.3567	2.3567	1.3710	1.3701	1.3701
Cl3	1.8113	2.7862		2.6169	2.6169	4.0016	3.1047	3.1047
F4	1.3783	2.3567	2.6169		2.2395	2.7363	2.7704	3.5589
F5	1.3783	2.3567	2.6169	2.2395		2.7363	3.5589	2.7704
F6	2.3729	1.3710	4.0016	2.7363	2.7363		2.2280	2.2280
F7	2.3831	1.3701	3.1047	2.7704	3.5589	2.2280		2.2285
F8	2.3831	1.3701	3.1047	3.5589	2.7704	2.2280	2.2285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.655	C1	C2	F7	110.410
C1	C2	F8	110.410	C2	C1	Cl3	112.738
C2	C1	F4	108.158	C2	C1	F5	108.158
Cl3	C1	F4	109.512	Cl3	C1	F5	109.512
F4	C1	F5	108.673	F6	C2	F7	108.745
F6	C2	F8	108.745	F7	C2	F8	108.835

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)