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	hartrees
Energy at 0K	-574.670470
Energy at 298.15K	-574.673857
HF Energy	-573.534658
Nuclear repulsion energy	357.480012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3031	11.50
2	A'	1485	1396	0.91
3	A'	1339	1259	144.77
4	A'	1210	1138	215.35
5	A'	1144	1076	136.74
6	A'	877	825	56.22
7	A'	717	674	32.71
8	A'	569	535	16.11
9	A'	511	480	8.63
10	A'	361	339	0.05
11	A'	246	232	4.25
12	A"	1400	1317	10.50
13	A"	1228	1155	399.95
14	A"	1156	1087	104.54
15	A"	578	544	0.70
16	A"	412	387	1.18
17	A"	212	200	2.50
18	A"	83	78	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.599	0.000
C2	-0.611	0.744	0.000
F3	1.451	-0.435	0.000
F4	-0.234	-1.306	1.095
F5	-0.234	-1.306	-1.095
F6	-0.234	1.441	-1.109
F7	-0.234	1.441	1.109
H8	-1.691	0.614	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5291	1.3423	1.3501	1.3501	2.3490	2.3490	2.1790
C2	1.5291		2.3755	2.3549	2.3549	1.3632	1.3632	1.0882
F3	1.3423	2.3755		2.1899	2.1899	2.7548	2.7548	3.3127
F4	1.3501	2.3549	2.1899		2.1901	3.5222	2.7471	2.6475
F5	1.3501	2.3549	2.1899	2.1901		2.7471	3.5222	2.6475
F6	2.3490	1.3632	2.7548	3.5222	2.7471		2.2187	2.0099
F7	2.3490	1.3632	2.7548	2.7471	3.5222	2.2187		2.0099
H8	2.1790	1.0882	3.3127	2.6475	2.6475	2.0099	2.0099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.482	C1	C2	F7	108.482
C1	C2	H8	111.615	C2	C1	F3	111.484
C2	C1	F4	109.595	C2	C1	F5	109.595
F3	C1	F4	108.850	F3	C1	F5	108.850
F4	C1	F5	108.405	F6	C2	F7	108.933
F6	C2	H8	109.638	F7	C2	H8	109.638

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)