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	hartrees
Energy at 0K	-571.077994
Energy at 298.15K	-571.081406
HF Energy	-570.409535
Nuclear repulsion energy	356.565383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3067	17.57
2	A'	1545	1444	9.90
3	A'	1417	1324	149.62
4	A'	1309	1223	181.20
5	A'	1181	1103	77.71
6	A'	904	844	53.19
7	A'	723	675	40.08
8	A'	566	529	25.95
9	A'	518	484	17.95
10	A'	363	339	0.19
11	A'	240	224	6.95
12	A"	1502	1403	24.28
13	A"	1367	1277	270.25
14	A"	1253	1171	59.73
15	A"	594	555	3.10
16	A"	416	389	3.05
17	A"	201	188	4.75
18	A"	76	71	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.590	0.000
C2	-0.610	0.730	0.000
F3	1.463	-0.423	0.000
F4	-0.238	-1.298	1.104
F5	-0.238	-1.298	-1.104
F6	-0.238	1.432	-1.124
F7	-0.238	1.432	1.124
H8	-1.677	0.561	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5090	1.3534	1.3590	1.3590	2.3415	2.3415	2.1346
C2	1.5090		2.3728	2.3385	2.3385	1.3771	1.3771	1.0796
F3	1.3534	2.3728		2.2085	2.2085	2.7567	2.7567	3.2909
F4	1.3590	2.3385	2.2085		2.2070	3.5237	2.7302	2.5972
F5	1.3590	2.3385	2.2085	2.2070		2.7302	3.5237	2.5972
F6	2.3415	1.3771	2.7567	3.5237	2.7302		2.2485	2.0233
F7	2.3415	1.3771	2.7567	2.7302	3.5237	2.2485		2.0233
H8	2.1346	1.0796	3.2909	2.5972	2.5972	2.0233	2.0233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.365	C1	C2	F7	108.365
C1	C2	H8	109.993	C2	C1	F3	111.871
C2	C1	F4	109.140	C2	C1	F5	109.140
F3	C1	F4	109.022	F3	C1	F5	109.022
F4	C1	F5	108.588	F6	C2	F7	109.454
F6	C2	H8	110.308	F7	C2	H8	110.308

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)