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	hartrees
Energy at 0K	-575.020631
Energy at 298.15K	-575.024172
HF Energy	-573.741876
Nuclear repulsion energy	360.967327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	2976	17.37
2	A'	1507	1409	0.79
3	A'	1373	1284	193.39
4	A'	1268	1186	181.61
5	A'	1195	1117	157.62
6	A'	899	841	46.81
7	A'	753	704	40.09
8	A'	602	563	16.88
9	A'	544	509	10.60
10	A'	372	348	0.10
11	A'	252	235	4.78
12	A"	1447	1353	13.58
13	A"	1299	1215	369.89
14	A"	1222	1143	127.17
15	A"	607	568	1.19
16	A"	430	402	1.35
17	A"	216	202	3.13
18	A"	75	70	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.604	0.000
C2	-0.599	0.752	0.000
F3	1.436	-0.457	0.000
F4	-0.233	-1.295	1.079
F5	-0.233	-1.295	-1.079
F6	-0.233	1.440	-1.092
F7	-0.233	1.440	1.092
H8	-1.678	0.609	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5361	1.3230	1.3289	1.3289	2.3447	2.3447	2.1703
C2	1.5361		2.3672	2.3431	2.3431	1.3415	1.3415	1.0888
F3	1.3230	2.3672		2.1566	2.1566	2.7523	2.7523	3.2916
F4	1.3289	2.3431	2.1566		2.1571	3.4920	2.7355	2.6228
F5	1.3289	2.3431	2.1566	2.1571		2.7355	3.4920	2.6228
F6	2.3447	1.3415	2.7523	3.4920	2.7355		2.1837	1.9934
F7	2.3447	1.3415	2.7523	2.7355	3.4920	2.1837		1.9934
H8	2.1703	1.0888	3.2916	2.6228	2.6228	1.9934	1.9934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.952	C1	C2	F7	108.952
C1	C2	H8	110.392	C2	C1	F3	111.561
C2	C1	F4	109.530	C2	C1	F5	109.530
F3	C1	F4	108.825	F3	C1	F5	108.825
F4	C1	F5	108.512	F6	C2	F7	108.958
F6	C2	H8	109.779	F7	C2	H8	109.779

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)