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	hartrees
Energy at 0K	-1033.107904
Energy at 298.15K	-1033.109802
HF Energy	-1032.293596
Nuclear repulsion energy	510.769954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1258	1215	46.54
2	A'	1092	1054	200.57
3	A'	1009	974	176.82
4	A'	896	864	226.67
5	A'	660	637	22.11
6	A'	563	543	19.15
7	A'	486	469	8.76
8	A'	392	379	3.16
9	A'	328	317	0.04
10	A'	291	281	1.23
11	A'	172	166	2.83
12	A"	1094	1056	307.69
13	A"	1044	1008	94.07
14	A"	531	513	1.34
15	A"	399	385	4.04
16	A"	299	288	0.14
17	A"	205	198	5.02
18	A"	64	61	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.100	-0.639	0.000
C2	-0.649	0.739	0.000
Cl3	1.928	-0.451	0.000
F4	-0.309	-1.369	1.144
F5	-0.309	-1.369	-1.144
F6	-2.040	0.547	0.000
F7	-0.309	1.488	1.140
F8	-0.309	1.488	-1.140

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5687	1.8380	1.4177	1.4177	2.4470	2.4480	2.4480
C2	1.5687		2.8388	2.4230	2.4230	1.4045	1.4056	1.4056
Cl3	1.8380	2.8388		2.6756	2.6756	4.0922	3.1726	3.1726
F4	1.4177	2.4230	2.6756		2.2886	2.8247	2.8576	3.6583
F5	1.4177	2.4230	2.6756	2.2886		2.8247	3.6583	2.8576
F6	2.4470	1.4045	4.0922	2.8247	2.8247		2.2764	2.2764
F7	2.4480	1.4056	3.1726	2.8576	3.6583	2.2764		2.2796
F8	2.4480	1.4056	3.1726	3.6583	2.8576	2.2764	2.2796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.654	C1	C2	F7	110.660
C1	C2	F8	110.660	C2	C1	Cl3	112.636
C2	C1	F4	108.348	C2	C1	F5	108.348
Cl3	C1	F4	109.864	Cl3	C1	F5	109.864
F4	C1	F5	107.638	F6	C2	F7	108.205
F6	C2	F8	108.205	F7	C2	F8	108.367

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)