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	hartrees
Energy at 0K	-1032.179202
Energy at 298.15K	-1032.181826
HF Energy	-1032.179202
Nuclear repulsion energy	529.383444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1479	1335	77.81
2	A'	1381	1247	208.64
3	A'	1227	1108	232.23
4	A'	1043	942	283.52
5	A'	774	699	46.18
6	A'	653	589	31.23
7	A'	561	507	16.42
8	A'	449	405	4.63
9	A'	380	343	0.08
10	A'	330	298	1.87
11	A'	193	174	3.34
12	A"	1391	1256	277.13
13	A"	1335	1205	149.77
14	A"	618	558	2.70
15	A"	461	416	7.40
16	A"	345	311	0.30
17	A"	232	209	5.81
18	A"	75	68	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.087	-0.617	0.000
C2	-0.633	0.722	0.000
Cl3	1.876	-0.446	0.000
F4	-0.303	-1.307	1.103
F5	-0.303	-1.307	-1.103
F6	-1.969	0.519	0.000
F7	-0.303	1.434	1.098
F8	-0.303	1.434	-1.098

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5205	1.7968	1.3582	1.3582	2.3489	2.3593	2.3593
C2	1.5205		2.7672	2.3331	2.3331	1.3510	1.3500	1.3500
Cl3	1.7968	2.7672		2.5892	2.5892	3.9637	3.0800	3.0800
F4	1.3582	2.3331	2.5892		2.2059	2.7070	2.7416	3.5158
F5	1.3582	2.3331	2.5892	2.2059		2.7070	3.5158	2.7416
F6	2.3489	1.3510	3.9637	2.7070	2.7070		2.1953	2.1953
F7	2.3593	1.3500	3.0800	2.7416	3.5158	2.1953		2.1963
F8	2.3593	1.3500	3.0800	3.5158	2.7416	2.1953	2.1963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.631	C1	C2	F7	110.417
C1	C2	F8	110.417	C2	C1	Cl3	112.797
C2	C1	F4	108.153	C2	C1	F5	108.153
Cl3	C1	F4	109.519	Cl3	C1	F5	109.519
F4	C1	F5	108.603	F6	C2	F7	108.735
F6	C2	F8	108.735	F7	C2	F8	108.866

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.456
2	C	1.142
3	Cl	0.200
4	F	-0.354
5	F	-0.354
6	F	-0.363
7	F	-0.363
8	F	-0.363

	x	y	z	Total
	0.909	0.072	0.000	0.912
CHELPG
AIM
ESP

	x	y	z
x	5.529	0.247	0.000
y	0.247	3.133	0.000
z	0.000	0.000	3.485

<r²>	255.139
(<r²>)^1/2	15.973

All results from a given calculation for CF3CF2Cl (pentafluorochloroethane)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)