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	hartrees
Energy at 0K	-1019.593258
Energy at 298.15K	-1019.595098
HF Energy	-1019.593258
Nuclear repulsion energy	517.822485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1527	1247	36.98
2	A'	1427	1165	50.46
3	A'	1297	1059	111.92
4	A'	1067	871	162.33
5	A'	785	641	39.32
6	A'	639	522	44.92
7	A'	546	446	9.84
8	A'	447	365	2.17
9	A'	351	287	0.00
10	A'	295	241	0.99
11	A'	155	127	1.93
12	A"	1552	1267	7.58
13	A"	1496	1222	123.70
14	A"	586	478	1.41
15	A"	436	356	8.33
16	A"	319	261	1.38
17	A"	184	151	2.17
18	A"	28	23	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.064	-0.686	0.000
C2	-0.653	0.767	0.000
Cl3	1.887	-0.424	0.000
F4	-0.290	-1.393	1.110
F5	-0.290	-1.393	-1.110
F6	-2.012	0.594	0.000
F7	-0.290	1.469	1.116
F8	-0.290	1.469	-1.116

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.6200	1.8414	1.3631	1.3631	2.4387	2.4520	2.4520
C2	1.6200		2.8048	2.4558	2.4558	1.3703	1.3672	1.3672
Cl3	1.8414	2.8048		2.6286	2.6286	4.0294	3.0928	3.0928
F4	1.3631	2.4558	2.6286		2.2201	2.8542	2.8618	3.6257
F5	1.3631	2.4558	2.6286	2.2201		2.8542	3.6257	2.8618
F6	2.4387	1.3703	4.0294	2.8542	2.8542		2.2306	2.2306
F7	2.4520	1.3672	3.0928	2.8618	3.6257	2.2306		2.2322
F8	2.4520	1.3672	3.0928	3.6257	2.8618	2.2306	2.2322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.999	C1	C2	F7	110.047
C1	C2	F8	110.047	C2	C1	Cl3	108.082
C2	C1	F4	110.523	C2	C1	F5	110.523
Cl3	C1	F4	109.320	Cl3	C1	F5	109.320
F4	C1	F5	109.049	F6	C2	F7	109.142
F6	C2	F8	109.142	F7	C2	F8	109.441

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	0.327
2	C	0.430
3	Cl	-0.160
4	F	-0.106
5	F	-0.106
6	F	-0.131
7	F	-0.127
8	F	-0.127

	x	y	z	Total
	-1.322	-0.094	0.000	1.325
CHELPG
AIM
ESP

	x	y	z
x	3.796	0.181	0.000
y	0.181	2.013	0.000
z	0.000	0.000	2.107

<r²>	261.505
(<r²>)^1/2	16.171

All results from a given calculation for CF3CF2Cl (pentafluorochloroethane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)