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	hartrees
Energy at 0K	-571.073355
Energy at 298.15K	-571.076786
HF Energy	-570.409662
Nuclear repulsion energy	356.738251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3061	17.38
2	A'	1547	1442	10.06
3	A'	1421	1323	150.77
4	A'	1312	1222	180.84
5	A'	1184	1103	77.90
6	A'	906	844	53.02
7	A'	724	675	40.52
8	A'	568	529	26.08
9	A'	519	484	18.13
10	A'	364	339	0.19
11	A'	240	224	6.98
12	A"	1503	1401	24.39
13	A"	1371	1277	269.82
14	A"	1257	1171	59.86
15	A"	595	554	3.15
16	A"	417	389	3.09
17	A"	201	187	4.75
18	A"	76	71	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.590	0.000
C2	-0.610	0.730	0.000
F3	1.463	-0.423	0.000
F4	-0.238	-1.298	1.103
F5	-0.238	-1.298	-1.103
F6	-0.238	1.432	-1.124
F7	-0.238	1.432	1.124
H8	-1.676	0.561	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5088	1.3526	1.3581	1.3581	2.3408	2.3408	2.1341
C2	1.5088		2.3719	2.3377	2.3377	1.3762	1.3762	1.0795
F3	1.3526	2.3719		2.2071	2.2071	2.7557	2.7557	3.2897
F4	1.3581	2.3377	2.2071		2.2056	3.5221	2.7293	2.5962
F5	1.3581	2.3377	2.2071	2.2056		2.7293	3.5221	2.5962
F6	2.3408	1.3762	2.7557	3.5221	2.7293		2.2471	2.0226
F7	2.3408	1.3762	2.7557	2.7293	3.5221	2.2471		2.0226
H8	2.1341	1.0795	3.2897	2.5962	2.5962	2.0226	2.0226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.374	C1	C2	F7	108.374
C1	C2	H8	109.970	C2	C1	F3	111.864
C2	C1	F4	109.144	C2	C1	F5	109.144
F3	C1	F4	109.021	F3	C1	F5	109.021
F4	C1	F5	108.588	F6	C2	F7	109.452
F6	C2	H8	110.312	F7	C2	H8	110.312

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)