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	hartrees
Energy at 0K	-575.816107
Energy at 298.15K	-575.819503
HF Energy	-575.364676
Nuclear repulsion energy	359.523020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3160	25.00
2	A'	1475	1475	0.61
3	A'	1333	1333	162.73
4	A'	1211	1211	213.98
5	A'	1151	1151	149.35
6	A'	877	877	55.25
7	A'	727	727	34.62
8	A'	581	581	14.73
9	A'	523	523	8.31
10	A'	364	364	0.05
11	A'	246	246	4.39
12	A"	1416	1416	12.70
13	A"	1230	1230	391.70
14	A"	1158	1158	113.31
15	A"	585	585	0.67
16	A"	418	418	1.09
17	A"	212	212	2.95
18	A"	69	69	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.600	0.000
C2	-0.602	0.747	0.000
F3	1.443	-0.447	0.000
F4	-0.234	-1.299	1.086
F5	-0.234	-1.299	-1.086
F6	-0.234	1.439	-1.100
F7	-0.234	1.439	1.100
H8	-1.684	0.613	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5291	1.3321	1.3389	1.3389	2.3439	2.3439	2.1737
C2	1.5291		2.3687	2.3457	2.3457	1.3507	1.3507	1.0898
F3	1.3321	2.3687		2.1719	2.1719	2.7529	2.7529	3.3016
F4	1.3389	2.3457	2.1719		2.1724	3.5035	2.7376	2.6335
F5	1.3389	2.3457	2.1719	2.1724		2.7376	3.5035	2.6335
F6	2.3439	1.3507	2.7529	3.5035	2.7376		2.2004	1.9990
F7	2.3439	1.3507	2.7529	2.7376	3.5035	2.2004		1.9990
H8	2.1737	1.0898	3.3016	2.6335	2.6335	1.9990	1.9990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.803	C1	C2	F7	108.803
C1	C2	H8	111.083	C2	C1	F3	111.573
C2	C1	F4	109.566	C2	C1	F5	109.566
F3	C1	F4	108.815	F3	C1	F5	108.815
F4	C1	F5	108.444	F6	C2	F7	109.082
F6	C2	H8	109.519	F7	C2	H8	109.519

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)