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	hartrees
Energy at 0K	-574.651852
Energy at 298.15K	-574.655293
HF Energy	-573.512847
Nuclear repulsion energy	359.868730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3004	23.02
2	A'	1524	1447	4.42
3	A'	1386	1316	165.61
4	A'	1269	1206	194.89
5	A'	1183	1123	105.85
6	A'	904	858	52.25
7	A'	735	698	34.25
8	A'	580	551	16.68
9	A'	524	497	9.40
10	A'	368	349	0.06
11	A'	248	235	4.29
12	A"	1444	1372	19.05
13	A"	1311	1245	333.86
14	A"	1219	1158	103.12
15	A"	594	564	1.14
16	A"	422	401	1.45
17	A"	211	201	2.62
18	A"	79	75	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	-0.596	0.000
C2	-0.609	0.740	0.000
F3	1.440	-0.423	0.000
F4	-0.231	-1.297	1.089
F5	-0.231	-1.297	-1.089
F6	-0.231	1.427	-1.104
F7	-0.231	1.427	1.104
H8	-1.694	0.605	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5201	1.3348	1.3408	1.3408	2.3310	2.3310	2.1721
C2	1.5201		2.3561	2.3408	2.3408	1.3545	1.3545	1.0934
F3	1.3348	2.3561		2.1771	2.1771	2.7268	2.7268	3.2981
F4	1.3408	2.3408	2.1771		2.1774	3.4976	2.7249	2.6351
F5	1.3408	2.3408	2.1771	2.1774		2.7249	3.4976	2.6351
F6	2.3310	1.3545	2.7268	3.4976	2.7249		2.2081	2.0093
F7	2.3310	1.3545	2.7268	2.7249	3.4976	2.2081		2.0093
H8	2.1721	1.0934	3.2981	2.6351	2.6351	2.0093	2.0093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.229	C1	C2	F7	108.229
C1	C2	H8	111.379	C2	C1	F3	111.068
C2	C1	F4	109.656	C2	C1	F5	109.656
F3	C1	F4	108.918	F3	C1	F5	108.918
F4	C1	F5	108.579	F6	C2	F7	109.200
F6	C2	H8	109.875	F7	C2	H8	109.875

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

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

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)