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	hartrees
Energy at 0K	-131.335274
Energy at 298.15K	-131.338221
HF Energy	-130.681869
Nuclear repulsion energy	193.290937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3109	12.68
2	A'	1396	1349	2.73
3	A'	1260	1218	86.09
4	A'	1082	1046	185.79
5	A'	1021	987	117.74
6	A'	795	768	79.93
7	A'	634	612	30.85
8	A'	506	489	22.26
9	A'	453	438	14.02
10	A'	329	318	0.10
11	A'	231	223	7.14
12	A"	1334	1289	2.03
13	A"	1084	1048	322.68
14	A"	1029	994	75.42
15	A"	517	500	1.16
16	A"	369	357	2.45
17	A"	199	192	5.06
18	A"	64	62	1.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.123	-0.609	0.000
C2	-0.639	0.766	0.000
F3	1.522	-0.464	0.000
F4	-0.246	-1.362	1.144
F5	-0.246	-1.362	-1.144
F6	-0.246	1.506	-1.158
F7	-0.246	1.506	1.158
H8	-1.734	0.641	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5722	1.4066	1.4180	1.4180	2.4396	2.4396	2.2385
C2	1.5722		2.4864	2.4474	2.4474	1.4297	1.4297	1.1016
F3	1.4066	2.4864		2.2892	2.2892	2.8890	2.8890	3.4380
F4	1.4180	2.4474	2.2892		2.2877	3.6774	2.8677	2.7447
F5	1.4180	2.4474	2.2892	2.2877		2.8677	3.6774	2.7447
F6	2.4396	1.4297	2.8890	3.6774	2.8677		2.3167	2.0744
F7	2.4396	1.4297	2.8890	2.8677	3.6774	2.3167		2.0744
H8	2.2385	1.1016	3.4380	2.7447	2.7447	2.0744	2.0744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.627	C1	C2	F7	108.627
C1	C2	H8	112.498	C2	C1	F3	113.054
C2	C1	F4	109.756	C2	C1	F5	109.756
F3	C1	F4	108.283	F3	C1	F5	108.283
F4	C1	F5	107.543	F6	C2	F7	108.228
F6	C2	H8	109.383	F7	C2	H8	109.383

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)