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	hartrees
Energy at 0K	-146.181122
Energy at 298.15K	-146.183537
HF Energy	-144.994361
Nuclear repulsion energy	248.295860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1392	1321	57.09
2	A'	1248	1185	269.47
3	A'	1141	1083	234.11
4	A'	999	949	272.53
5	A'	757	719	26.30
6	A'	642	610	15.99
7	A'	552	524	5.33
8	A'	446	424	0.91
9	A'	361	343	0.02
10	A'	316	300	1.25
11	A'	183	174	1.67
12	A"	1260	1197	355.09
13	A"	1198	1137	156.85
14	A"	590	560	1.05
15	A"	448	425	1.62
16	A"	332	315	0.04
17	A"	219	208	2.70
18	A"	71	67	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.102	-0.642	0.000
C2	-0.630	0.747	0.000
Cl3	1.855	-0.455	0.000
F4	-0.298	-1.329	1.098
F5	-0.298	-1.329	-1.098
F6	-1.962	0.544	0.000
F7	-0.298	1.452	1.097
F8	-0.298	1.452	-1.097

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5699	1.7634	1.3553	1.3553	2.3802	2.3969	2.3969
C2	1.5699		2.7611	2.3717	2.3717	1.3472	1.3453	1.3453
Cl3	1.7634	2.7611		2.5698	2.5698	3.9460	3.0783	3.0783
F4	1.3553	2.3717	2.5698		2.1956	2.7355	2.7805	3.5422
F5	1.3553	2.3717	2.5698	2.1956		2.7355	3.5422	2.7805
F6	2.3802	1.3472	3.9460	2.7355	2.7355		2.1901	2.1901
F7	2.3969	1.3453	3.0783	2.7805	3.5422	2.1901		2.1934
F8	2.3969	1.3453	3.0783	3.5422	2.7805	2.1901	2.1934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.128	C1	C2	F7	110.374
C1	C2	F8	110.374	C2	C1	Cl3	111.728
C2	C1	F4	108.121	C2	C1	F5	108.121
Cl3	C1	F4	110.285	Cl3	C1	F5	110.285
F4	C1	F5	108.191	F6	C2	F7	108.858
F6	C2	F8	108.858	F7	C2	F8	109.215

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)