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	hartrees
Energy at 0K	-145.557096
Energy at 298.15K	-145.559088
HF Energy	-144.753121
Nuclear repulsion energy	239.482072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1270	1240	46.03
2	A'	1098	1072	188.08
3	A'	1011	987	199.85
4	A'	906	884	242.49
5	A'	659	643	18.87
6	A'	560	547	20.06
7	A'	485	473	6.87
8	A'	399	389	4.34
9	A'	328	320	0.03
10	A'	292	285	1.30
11	A'	173	168	2.48
12	A"	1101	1075	262.45
13	A"	1047	1022	130.53
14	A"	529	517	1.14
15	A"	400	390	3.36
16	A"	302	295	0.04
17	A"	208	203	4.28
18	A"	70	68	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.108	-0.639	0.000
C2	-0.649	0.742	0.000
Cl3	1.928	-0.452	0.000
F4	-0.310	-1.369	1.147
F5	-0.310	-1.369	-1.147
F6	-2.042	0.540	0.000
F7	-0.310	1.491	1.143
F8	-0.310	1.491	-1.143

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5744	1.8302	1.4221	1.4221	2.4522	2.4536	2.4536
C2	1.5744		2.8399	2.4257	2.4257	1.4081	1.4085	1.4085
Cl3	1.8302	2.8399		2.6766	2.6766	4.0926	3.1766	3.1766
F4	1.4221	2.4257	2.6766		2.2949	2.8217	2.8598	3.6641
F5	1.4221	2.4257	2.6766	2.2949		2.8217	3.6641	2.8598
F6	2.4522	1.4081	4.0926	2.8217	2.8217		2.2833	2.2833
F7	2.4536	1.4085	3.1766	2.8598	3.6641	2.2833		2.2864
F8	2.4536	1.4085	3.1766	3.6641	2.8598	2.2833	2.2864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.486	C1	C2	F7	110.558
C1	C2	F8	110.558	C2	C1	Cl3	112.838
C2	C1	F4	107.989	C2	C1	F5	107.989
Cl3	C1	F4	110.138	Cl3	C1	F5	110.138
F4	C1	F5	107.575	F6	C2	F7	108.324
F6	C2	F8	108.324	F7	C2	F8	108.515

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)