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	hartrees
Energy at 0K	-1033.831735
Energy at 298.15K	-1033.834215
HF Energy	-1032.451943
Nuclear repulsion energy	532.348576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1400	1334
2	A'	1280	1220
3	A'	1150	1096
4	A'	989	943
5	A'	758	723
6	A'	647	617
7	A'	557	531
8	A'	441	420
9	A'	365	348
10	A'	318	303
11	A'	183	175
12	A"	1294	1233
13	A"	1231	1173
14	A"	598	570
15	A"	452	430
16	A"	333	317
17	A"	216	206
18	A"	68	65

Atom	x (Å)	y (Å)	z (Å)
C1	0.091	-0.635	0.000
C2	-0.628	0.737	0.000
Cl3	1.853	-0.442	0.000
F4	-0.298	-1.316	1.092
F5	-0.298	-1.316	-1.092
F6	-1.950	0.530	0.000
F7	-0.298	1.435	1.090
F8	-0.298	1.435	-1.090

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5484	1.7726	1.3445	1.3445	2.3500	2.3711	2.3711
C2	1.5484		2.7457	2.3487	2.3487	1.3384	1.3353	1.3353
Cl3	1.7726	2.7457		2.5656	2.5656	3.9248	3.0547	3.0547
F4	1.3445	2.3487	2.5656		2.1843	2.7079	2.7510	3.5111
F5	1.3445	2.3487	2.5656	2.1843		2.7079	3.5111	2.7510
F6	2.3500	1.3384	3.9248	2.7079	2.7079		2.1759	2.1759
F7	2.3711	1.3353	3.0547	2.7510	3.5111	2.1759		2.1790
F8	2.3711	1.3353	3.0547	3.5111	2.7510	2.1759	2.1790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.768	C1	C2	F7	110.403
C1	C2	F8	110.403	C2	C1	Cl3	111.358
C2	C1	F4	108.355	C2	C1	F5	108.355
Cl3	C1	F4	110.031	Cl3	C1	F5	110.031
F4	C1	F5	108.642	F6	C2	F7	108.937
F6	C2	F8	108.937	F7	C2	F8	109.360

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)