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	hartrees
Energy at 0K	-575.045174
Energy at 298.15K	-575.048663
HF Energy	-573.740697
Nuclear repulsion energy	359.797685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3016	17.89
2	A'	1490	1423	0.54
3	A'	1353	1293	177.01
4	A'	1246	1190	185.48
5	A'	1173	1120	157.57
6	A'	887	847	49.17
7	A'	742	709	37.29
8	A'	593	567	15.89
9	A'	536	512	9.75
10	A'	368	351	0.08
11	A'	250	239	4.63
12	A"	1430	1366	12.06
13	A"	1270	1213	368.66
14	A"	1193	1140	128.11
15	A"	598	571	1.00
16	A"	424	405	1.22
17	A"	215	205	3.09
18	A"	73	70	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.605	0.000
C2	-0.601	0.753	0.000
F3	1.441	-0.457	0.000
F4	-0.234	-1.299	1.083
F5	-0.234	-1.299	-1.083
F6	-0.234	1.444	-1.096
F7	-0.234	1.444	1.096
H8	-1.682	0.611	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5377	1.3280	1.3342	1.3342	2.3504	2.3504	2.1754
C2	1.5377		2.3736	2.3488	2.3488	1.3470	1.3470	1.0903
F3	1.3280	2.3736		2.1646	2.1646	2.7603	2.7603	3.3011
F4	1.3342	2.3488	2.1646		2.1653	3.5029	2.7430	2.6307
F5	1.3342	2.3488	2.1646	2.1653		2.7430	3.5029	2.6307
F6	2.3504	1.3470	2.7603	3.5029	2.7430		2.1921	1.9983
F7	2.3504	1.3470	2.7603	2.7430	3.5029	2.1921		1.9983
H8	2.1754	1.0903	3.3011	2.6307	2.6307	1.9983	1.9983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.952	C1	C2	F7	108.952
C1	C2	H8	110.581	C2	C1	F3	111.637
C2	C1	F4	109.533	C2	C1	F5	109.533
F3	C1	F4	108.801	F3	C1	F5	108.801
F4	C1	F5	108.475	F6	C2	F7	108.921
F6	C2	H8	109.702	F7	C2	H8	109.702

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD/TZVP

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 CF3CHF2 (pentafluoroethane)

using model chemistry: QCISD/TZVP

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)