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	hartrees
Energy at 0K	-567.161994
Energy at 298.15K
HF Energy	-567.090143
Nuclear repulsion energy	342.059466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3232	16.23
2	A'	1448	1448	42.51
3	A'	1315	1315	68.82
4	A'	1198	1198	27.71
5	A'	1169	1169	73.12
6	A'	827	827	5.34
7	A'	666	666	22.67
8	A'	529	529	13.99
9	A'	458	458	6.88
10	A'	311	311	0.08
11	A'	197	197	1.28
12	A"	1466	1466	11.98
13	A"	1338	1338	107.52
14	A"	1251	1251	30.42
15	A"	525	525	1.67
16	A"	363	363	1.20
17	A"	158	158	0.84
18	A"	6i	6i	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.127	-0.653	0.000
C2	-0.621	0.819	0.000
F3	1.514	-0.506	0.000
F4	-0.248	-1.375	1.134
F5	-0.248	-1.375	-1.134
F6	-0.248	1.538	-1.139
F7	-0.248	1.538	1.139
H8	-1.736	0.639	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.6513	1.3945	1.3958	1.3958	2.4976	2.4976	2.2676
C2	1.6513		2.5123	2.4982	2.4982	1.3974	1.3974	1.1296
F3	1.3945	2.5123		2.2682	2.2682	2.9285	2.9285	3.4457
F4	1.3958	2.4982	2.2682		2.2684	3.6950	2.9132	2.7498
F5	1.3958	2.4982	2.2682	2.2684		2.9132	3.6950	2.7498
F6	2.4976	1.3974	2.9285	3.6950	2.9132		2.2774	2.0783
F7	2.4976	1.3974	2.9285	2.9132	3.6950	2.2774		2.0783
H8	2.2676	1.1296	3.4457	2.7498	2.7498	2.0783	2.0783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.737	C1	C2	F7	109.737
C1	C2	H8	107.781	C2	C1	F3	110.863
C2	C1	F4	109.859	C2	C1	F5	109.859
F3	C1	F4	108.755	F3	C1	F5	108.755
F4	C1	F5	108.705	F6	C2	F7	109.148
F6	C2	H8	110.211	F7	C2	H8	110.211

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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=FULLultrafine/STO-3G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)