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	hartrees
Energy at 0K	-1027.926249
Energy at 298.15K	-1027.928484
HF Energy	-1027.103749
Nuclear repulsion energy	523.338727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1346	1309	106.74
2	A'	1334	1297	130.23
3	A'	1167	1134	175.31
4	A'	943	917	206.83
5	A'	720	700	52.22
6	A'	615	598	22.96
7	A'	534	519	16.96
8	A'	386	375	0.11
9	A'	355	345	0.13
10	A'	302	294	1.78
11	A'	178	173	3.18
12	A"	1353	1315	246.87
13	A"	1292	1256	62.81
14	A"	582	565	2.51
15	A"	425	413	5.26
16	A"	303	294	0.84
17	A"	204	199	4.89
18	A"	62	60	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.056	-0.639	0.000
C2	-0.649	0.715	0.000
Cl3	1.910	-0.389	0.000
F4	-0.303	-1.335	1.121
F5	-0.303	-1.335	-1.121
F6	-2.000	0.512	0.000
F7	-0.303	1.421	1.111
F8	-0.303	1.421	-1.111

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5271	1.8700	1.3674	1.3674	2.3566	2.3677	2.3677
C2	1.5271		2.7866	2.3620	2.3620	1.3658	1.3609	1.3609
Cl3	1.8700	2.7866		2.6547	2.6547	4.0117	3.0664	3.0664
F4	1.3674	2.3620	2.6547		2.2421	2.7472	2.7554	3.5461
F5	1.3674	2.3620	2.6547	2.2421		2.7472	3.5461	2.7554
F6	2.3566	1.3658	4.0117	2.7472	2.7472		2.2224	2.2224
F7	2.3677	1.3609	3.0664	2.7554	3.5461	2.2224		2.2223
F8	2.3677	1.3609	3.0664	3.5461	2.7554	2.2224	2.2223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.968	C1	C2	F7	110.007
C1	C2	F8	110.007	C2	C1	Cl3	109.819
C2	C1	F4	109.254	C2	C1	F5	109.254
Cl3	C1	F4	109.186	Cl3	C1	F5	109.186
F4	C1	F5	110.130	F6	C2	F7	109.185
F6	C2	F8	109.185	F7	C2	F8	109.469

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)