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	hartrees
Energy at 0K	-1033.412743
Energy at 298.15K	-1033.415467
HF Energy	-1032.407473
Nuclear repulsion energy	539.064700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1512	1397	69.30
2	A'	1384	1279	244.94
3	A'	1251	1155	248.32
4	A'	1077	995	292.74
5	A'	810	748	34.59
6	A'	683	631	20.22
7	A'	586	541	7.79
8	A'	471	436	1.39
9	A'	385	356	0.04
10	A'	337	311	1.30
11	A'	195	180	1.73
12	A"	1397	1290	311.52
13	A"	1337	1235	169.45
14	A"	632	584	1.40
15	A"	478	441	2.80
16	A"	356	329	0.05
17	A"	230	212	2.70
18	A"	76	70	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.096	-0.622	0.000
C2	-0.619	0.729	0.000
Cl3	1.830	-0.448	0.000
F4	-0.296	-1.292	1.080
F5	-0.296	-1.292	-1.080
F6	-1.925	0.518	0.000
F7	-0.296	1.421	1.077
F8	-0.296	1.421	-1.077

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5284	1.7426	1.3297	1.3297	2.3198	2.3427	2.3427
C2	1.5284		2.7169	2.3140	2.3140	1.3225	1.3206	1.3206
Cl3	1.7426	2.7169		2.5291	2.5291	3.8766	3.0285	3.0285
F4	1.3297	2.3140	2.5291		2.1592	2.6636	2.7133	3.4661
F5	1.3297	2.3140	2.5291	2.1592		2.6636	3.4661	2.7133
F6	2.3198	1.3225	3.8766	2.6636	2.6636		2.1516	2.1516
F7	2.3427	1.3206	3.0285	2.7133	3.4661	2.1516		2.1544
F8	2.3427	1.3206	3.0285	3.4661	2.7133	2.1516	2.1544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.706	C1	C2	F7	110.415
C1	C2	F8	110.415	C2	C1	Cl3	112.154
C2	C1	F4	107.923	C2	C1	F5	107.923
Cl3	C1	F4	110.084	Cl3	C1	F5	110.084
F4	C1	F5	108.568	F6	C2	F7	108.981
F6	C2	F8	108.981	F7	C2	F8	109.311

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)