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	hartrees
Energy at 0K	-1034.026020
Energy at 298.15K	-1034.028612
HF Energy	-1032.582682
Nuclear repulsion energy	535.421128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1415	1354	70.51
2	A'	1297	1242	248.54
3	A'	1176	1126	241.85
4	A'	1021	977	284.72
5	A'	777	744	30.63
6	A'	661	633	16.61
7	A'	568	544	6.93
8	A'	454	435	0.70
9	A'	373	357	0.03
10	A'	325	311	1.43
11	A'	191	182	1.71
12	A"	1309	1254	317.82
13	A"	1249	1196	168.33
14	A"	609	583	1.36
15	A"	463	443	1.98
16	A"	345	331	0.02
17	A"	226	216	2.84
18	A"	74	71	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.094	-0.632	0.000
C2	-0.624	0.735	0.000
Cl3	1.841	-0.448	0.000
F4	-0.297	-1.307	1.085
F5	-0.297	-1.307	-1.085
F6	-1.938	0.532	0.000
F7	-0.297	1.430	1.083
F8	-0.297	1.430	-1.083

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5444	1.7561	1.3364	1.3364	2.3417	2.3615	2.3615
C2	1.5444		2.7340	2.3361	2.3361	1.3297	1.3274	1.3274
Cl3	1.7561	2.7340		2.5463	2.5463	3.9035	3.0443	3.0443
F4	1.3364	2.3361	2.5463		2.1696	2.6932	2.7375	3.4918
F5	1.3364	2.3361	2.5463	2.1696		2.6932	3.4918	2.7375
F6	2.3417	1.3297	3.9035	2.6932	2.6932		2.1616	2.1616
F7	2.3615	1.3274	3.0443	2.7375	3.4918	2.1616		2.1657
F8	2.3615	1.3274	3.0443	3.4918	2.7375	2.1616	2.1657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.901	C1	C2	F7	110.404
C1	C2	F8	110.404	C2	C1	Cl3	111.700
C2	C1	F4	108.154	C2	C1	F5	108.154
Cl3	C1	F4	110.111	Cl3	C1	F5	110.111
F4	C1	F5	108.524	F6	C2	F7	108.885
F6	C2	F8	108.885	F7	C2	F8	109.328

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)