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	hartrees
Energy at 0K	-1034.059171
Energy at 298.15K	-1034.061789
HF Energy	-1032.444920
Nuclear repulsion energy	538.739271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1446	1370	61.24
2	A'	1337	1266	220.65
3	A'	1209	1146	189.28
4	A'	1031	977	245.03
5	A'	791	749	34.17
6	A'	670	635	16.03
7	A'	575	545	6.61
8	A'	455	431	0.43
9	A'	377	357	0.02
10	A'	324	307	1.29
11	A'	185	175	1.23
12	A"	1354	1282	282.33
13	A"	1298	1229	111.92
14	A"	617	585	1.17
15	A"	464	440	1.85
16	A"	341	323	0.04
17	A"	220	208	1.89
18	A"	76	72	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	-0.631	0.000
C2	-0.623	0.732	0.000
Cl3	1.835	-0.438	0.000
F4	-0.296	-1.298	1.078
F5	-0.296	-1.298	-1.078
F6	-1.927	0.522	0.000
F7	-0.296	1.417	1.076
F8	-0.296	1.417	-1.076

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5384	1.7571	1.3241	1.3241	2.3219	2.3458	2.3458
C2	1.5384		2.7229	2.3217	2.3217	1.3202	1.3169	1.3169
Cl3	1.7571	2.7229		2.5378	2.5378	3.8823	3.0234	3.0234
F4	1.3241	2.3217	2.5378		2.1552	2.6707	2.7154	3.4656
F5	1.3241	2.3217	2.5378	2.1552		2.6707	3.4656	2.7154
F6	2.3219	1.3202	3.8823	2.6707	2.6707		2.1494	2.1494
F7	2.3458	1.3169	3.0234	2.7154	3.4656	2.1494		2.1515
F8	2.3458	1.3169	3.0234	3.4656	2.7154	2.1494	2.1515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.394	C1	C2	F7	110.245
C1	C2	F8	110.245	C2	C1	Cl3	111.257
C2	C1	F4	108.170	C2	C1	F5	108.170
Cl3	C1	F4	110.112	Cl3	C1	F5	110.112
F4	C1	F5	108.952	F6	C2	F7	109.189
F6	C2	F8	109.189	F7	C2	F8	109.551

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)