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	hartrees
Energy at 0K	-575.568364
Energy at 298.15K	-575.571732
HF Energy	-575.200291
Nuclear repulsion energy	359.211773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3156	26.97
2	A'	1488	1488	1.11
3	A'	1352	1352	156.89
4	A'	1236	1236	197.87
5	A'	1164	1164	113.37
6	A'	886	886	49.84
7	A'	725	725	31.68
8	A'	573	573	14.92
9	A'	516	516	7.80
10	A'	361	361	0.03
11	A'	242	242	3.79
12	A"	1425	1425	16.67
13	A"	1266	1266	341.13
14	A"	1185	1185	102.27
15	A"	584	584	0.77
16	A"	414	414	1.14
17	A"	206	206	2.41
18	A"	67	67	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.118	-0.598	0.000
C2	-0.606	0.744	0.000
F3	1.444	-0.434	0.000
F4	-0.233	-1.299	1.090
F5	-0.233	-1.299	-1.090
F6	-0.233	1.434	-1.104
F7	-0.233	1.434	1.104
H8	-1.688	0.605	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5252	1.3363	1.3425	1.3425	2.3390	2.3390	2.1699
C2	1.5252		2.3646	2.3458	2.3458	1.3545	1.3545	1.0908
F3	1.3363	2.3646		2.1791	2.1791	2.7419	2.7419	3.2998
F4	1.3425	2.3458	2.1791		2.1796	3.5048	2.7331	2.6326
F5	1.3425	2.3458	2.1791	2.1796		2.7331	3.5048	2.6326
F6	2.3390	1.3545	2.7419	3.5048	2.7331		2.2085	2.0063
F7	2.3390	1.3545	2.7419	2.7331	3.5048	2.2085		2.0063
H8	2.1699	1.0908	3.2998	2.6326	2.6326	2.0063	2.0063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.485	C1	C2	F7	108.485
C1	C2	H8	110.999	C2	C1	F3	111.281
C2	C1	F4	109.611	C2	C1	F5	109.611
F3	C1	F4	108.873	F3	C1	F5	108.873
F4	C1	F5	108.542	F6	C2	F7	109.229
F6	C2	H8	109.801	F7	C2	H8	109.801

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: B2PLYP=FULL/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)