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	hartrees
Energy at 0K	-1033.746459
Energy at 298.15K	-1033.749266
HF Energy	-1032.585362
Nuclear repulsion energy	540.698823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1494	1383	80.99
2	A'	1370	1268	281.70
3	A'	1243	1150	272.75
4	A'	1073	993	314.56
5	A'	820	759	37.08
6	A'	696	644	19.72
7	A'	596	552	8.24
8	A'	477	441	1.04
9	A'	391	362	0.03
10	A'	339	314	1.60
11	A'	198	183	1.88
12	A"	1383	1280	363.06
13	A"	1326	1227	182.59
14	A"	639	592	1.71
15	A"	485	449	2.50
16	A"	361	334	0.04
17	A"	235	218	3.19
18	A"	78	72	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.092	-0.627	0.000
C2	-0.620	0.733	0.000
Cl3	1.827	-0.451	0.000
F4	-0.295	-1.292	1.072
F5	-0.295	-1.292	-1.072
F6	-1.918	0.531	0.000
F7	-0.295	1.418	1.070
F8	-0.295	1.418	-1.070

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5341	1.7443	1.3198	1.3198	2.3189	2.3400	2.3400
C2	1.5341		2.7184	2.3139	2.3139	1.3138	1.3116	1.3116
Cl3	1.7443	2.7184		2.5223	2.5223	3.8717	3.0243	3.0243
F4	1.3198	2.3139	2.5223		2.1433	2.6652	2.7103	3.4545
F5	1.3198	2.3139	2.5223	2.1433		2.6652	3.4545	2.7103
F6	2.3189	1.3138	3.8717	2.6652	2.6652		2.1366	2.1366
F7	2.3400	1.3116	3.0243	2.7103	3.4545	2.1366		2.1406
F8	2.3400	1.3116	3.0243	3.4545	2.7103	2.1366	2.1406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.781	C1	C2	F7	110.385
C1	C2	F8	110.385	C2	C1	Cl3	111.869
C2	C1	F4	108.111	C2	C1	F5	108.111
Cl3	C1	F4	110.037	Cl3	C1	F5	110.037
F4	C1	F5	108.587	F6	C2	F7	108.939
F6	C2	F8	108.939	F7	C2	F8	109.377

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)