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	hartrees
Energy at 0K	-1035.888296
Energy at 298.15K	-1035.890694
HF Energy	-1035.888296
Nuclear repulsion energy	531.835515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1315	1272	66.79
2	A'	1200	1161	261.01
3	A'	1111	1075	185.57
4	A'	953	922	267.52
5	A'	754	729	33.60
6	A'	643	622	12.51
7	A'	546	529	6.40
8	A'	428	414	0.09
9	A'	359	347	0.06
10	A'	309	299	1.38
11	A'	179	173	0.98
12	A"	1215	1176	309.96
13	A"	1163	1125	137.79
14	A"	588	569	0.73
15	A"	446	432	0.95
16	A"	327	316	0.00
17	A"	218	211	1.59
18	A"	68	66	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.087	-0.642	0.000
C2	-0.629	0.750	0.000
Cl3	1.852	-0.463	0.000
F4	-0.297	-1.322	1.087
F5	-0.297	-1.322	-1.087
F6	-1.948	0.555	0.000
F7	-0.297	1.446	1.085
F8	-0.297	1.446	-1.085

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5657	1.7735	1.3380	1.3380	2.3620	2.3844	2.3844
C2	1.5657		2.7618	2.3626	2.3626	1.3337	1.3312	1.3312
Cl3	1.7735	2.7618		2.5566	2.5566	3.9346	3.0727	3.0727
F4	1.3380	2.3626	2.5566		2.1733	2.7258	2.7673	3.5178
F5	1.3380	2.3626	2.5566	2.1733		2.7258	3.5178	2.7673
F6	2.3620	1.3337	3.9346	2.7258	2.7258		2.1673	2.1673
F7	2.3844	1.3312	3.0727	2.7673	3.5178	2.1673		2.1704
F8	2.3844	1.3312	3.0727	3.5178	2.7673	2.1673	2.1704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.846	C1	C2	F7	110.530
C1	C2	F8	110.530	C2	C1	Cl3	111.447
C2	C1	F4	108.655	C2	C1	F5	108.655
Cl3	C1	F4	109.708	Cl3	C1	F5	109.708
F4	C1	F5	108.612	F6	C2	F7	108.837
F6	C2	F8	108.837	F7	C2	F8	109.221

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)