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	hartrees
Energy at 0K	-1027.988502
Energy at 298.15K	-1027.991001
HF Energy	-1027.219738
Nuclear repulsion energy	532.220678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1400	1308	108.92
2	A'	1384	1293	154.57
3	A'	1211	1131	192.81
4	A'	1018	951	248.33
5	A'	757	707	43.28
6	A'	644	602	25.65
7	A'	559	523	15.10
8	A'	443	414	2.13
9	A'	367	343	0.19
10	A'	323	302	1.45
11	A'	192	179	3.42
12	A"	1394	1303	266.36
13	A"	1311	1225	73.15
14	A"	604	564	2.60
15	A"	450	420	5.65
16	A"	335	313	0.24
17	A"	213	199	4.69
18	A"	65	61	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.100	-0.624	0.000
C2	-0.625	0.714	0.000
Cl3	1.835	-0.408	0.000
F4	-0.289	-1.315	1.111
F5	-0.289	-1.315	-1.111
F6	-1.961	0.501	0.000
F7	-0.289	1.421	1.102
F8	-0.289	1.421	-1.102

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5216	1.7481	1.3652	1.3652	2.3482	2.3548	2.3548
C2	1.5216		2.7034	2.3379	2.3379	1.3534	1.3514	1.3514
Cl3	1.7481	2.7034		2.5624	2.5624	3.9034	3.0112	3.0112
F4	1.3652	2.3379	2.5624		2.2225	2.7076	2.7359	3.5188
F5	1.3652	2.3379	2.5624	2.2225		2.7076	3.5188	2.7359
F6	2.3482	1.3534	3.9034	2.7076	2.7076		2.2040	2.2040
F7	2.3548	1.3514	3.0112	2.7359	3.5188	2.2040		2.2035
F8	2.3548	1.3514	3.0112	3.5188	2.7359	2.2040	2.2035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.381	C1	C2	F7	109.957
C1	C2	F8	109.957	C2	C1	Cl3	111.356
C2	C1	F4	108.041	C2	C1	F5	108.041
Cl3	C1	F4	110.175	Cl3	C1	F5	110.175
F4	C1	F5	108.978	F6	C2	F7	109.147
F6	C2	F8	109.147	F7	C2	F8	109.232

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)