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	hartrees
Energy at 0K	-1033.775233
Energy at 298.15K	-1033.777755
HF Energy	-1032.452597
Nuclear repulsion energy	533.488474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1411	1344	64.09
2	A'	1276	1216	276.16
3	A'	1154	1099	224.79
4	A'	997	950	288.89
5	A'	765	729	30.94
6	A'	654	623	14.50
7	A'	561	535	7.11
8	A'	447	426	0.19
9	A'	367	350	0.03
10	A'	321	305	1.39
11	A'	186	177	1.70
12	A"	1292	1230	354.83
13	A"	1231	1173	145.31
14	A"	602	573	1.15
15	A"	456	434	2.00
16	A"	336	320	0.05
17	A"	218	208	2.74
18	A"	69	66	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-0.635	0.000
C2	-0.625	0.734	0.000
Cl3	1.844	-0.438	0.000
F4	-0.295	-1.316	1.091
F5	-0.295	-1.316	-1.091
F6	-1.946	0.530	0.000
F7	-0.295	1.431	1.089
F8	-0.295	1.431	-1.089

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5448	1.7648	1.3426	1.3426	2.3461	2.3668	2.3668
C2	1.5448		2.7334	2.3457	2.3457	1.3373	1.3340	1.3340
Cl3	1.7648	2.7334		2.5569	2.5569	3.9122	3.0424	3.0424
F4	1.3426	2.3457	2.5569		2.1817	2.7060	2.7471	3.5067
F5	1.3426	2.3457	2.5569	2.1817		2.7060	3.5067	2.7471
F6	2.3461	1.3373	3.9122	2.7060	2.7060		2.1737	2.1737
F7	2.3668	1.3340	3.0424	2.7471	3.5067	2.1737		2.1772
F8	2.3668	1.3340	3.0424	3.5067	2.7471	2.1737	2.1772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.777	C1	C2	F7	110.395
C1	C2	F8	110.395	C2	C1	Cl3	111.188
C2	C1	F4	108.460	C2	C1	F5	108.460
Cl3	C1	F4	109.998	Cl3	C1	F5	109.998
F4	C1	F5	108.676	F6	C2	F7	108.926
F6	C2	F8	108.926	F7	C2	F8	109.387

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)