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	hartrees
Energy at 0K	-574.437805
Energy at 298.15K	-574.441384
HF Energy	-573.515374
Nuclear repulsion energy	362.642015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3046	23.24
2	A'	1590	1472	4.58
3	A'	1440	1333	188.87
4	A'	1321	1223	207.16
5	A'	1232	1140	126.81
6	A'	938	869	55.21
7	A'	765	708	39.02
8	A'	604	559	18.21
9	A'	544	504	10.81
10	A'	381	353	0.07
11	A'	256	237	4.69
12	A"	1501	1389	23.64
13	A"	1364	1263	368.96
14	A"	1272	1177	114.03
15	A"	617	571	1.42
16	A"	438	406	1.63
17	A"	219	202	2.90
18	A"	81	75	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	-0.594	0.000
C2	-0.603	0.739	0.000
F3	1.429	-0.428	0.000
F4	-0.229	-1.288	1.078
F5	-0.229	-1.288	-1.078
F6	-0.229	1.421	-1.093
F7	-0.229	1.421	1.093
H8	-1.678	0.604	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5146	1.3227	1.3285	1.3285	2.3183	2.3183	2.1578
C2	1.5146		2.3432	2.3263	2.3263	1.3418	1.3418	1.0832
F3	1.3227	2.3432		2.1568	2.1568	2.7136	2.7136	3.2739
F4	1.3285	2.3263	2.1568		2.1568	3.4722	2.7093	2.6160
F5	1.3285	2.3263	2.1568	2.1568		2.7093	3.4722	2.6160
F6	2.3183	1.3418	2.7136	3.4722	2.7093		2.1864	1.9903
F7	2.3183	1.3418	2.7136	2.7093	3.4722	2.1864		1.9903
H8	2.1578	1.0832	3.2739	2.6160	2.6160	1.9903	1.9903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.357	C1	C2	F7	108.357
C1	C2	H8	111.238	C2	C1	F3	111.177
C2	C1	F4	109.647	C2	C1	F5	109.647
F3	C1	F4	108.890	F3	C1	F5	108.890
F4	C1	F5	108.540	F6	C2	F7	109.124
F6	C2	H8	109.858	F7	C2	H8	109.858

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)