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	hartrees
Energy at 0K	-574.196967
Energy at 298.15K	-574.199915
HF Energy	-573.449647
Nuclear repulsion energy	344.109592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3094	8.64
2	A'	1397	1345	4.71
3	A'	1260	1213	86.57
4	A'	1076	1037	194.53
5	A'	1021	984	110.75
6	A'	797	768	80.18
7	A'	637	613	30.46
8	A'	505	487	22.50
9	A'	453	436	14.58
10	A'	329	316	0.07
11	A'	231	223	7.04
12	A"	1339	1289	2.37
13	A"	1079	1039	349.94
14	A"	1024	986	48.48
15	A"	520	501	1.22
16	A"	368	355	2.66
17	A"	198	191	5.11
18	A"	67	65	1.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.122	-0.602	0.000
C2	-0.636	0.755	0.000
F3	1.515	-0.455	0.000
F4	-0.245	-1.352	1.140
F5	-0.245	-1.352	-1.140
F6	-0.245	1.494	-1.155
F7	-0.245	1.494	1.155
H8	-1.723	0.627	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5543	1.4012	1.4130	1.4130	2.4216	2.4216	2.2174
C2	1.5543		2.4676	2.4274	2.4274	1.4261	1.4261	1.0951
F3	1.4012	2.4676		2.2811	2.2811	2.8689	2.8689	3.4145
F4	1.4130	2.4274	2.2811		2.2801	3.6564	2.8461	2.7210
F5	1.4130	2.4274	2.2811	2.2801		2.8461	3.6564	2.7210
F6	2.4216	1.4261	2.8689	3.6564	2.8461		2.3110	2.0667
F7	2.4216	1.4261	2.8689	2.8461	3.6564	2.3110		2.0667
H8	2.2174	1.0951	3.4145	2.7210	2.7210	2.0667	2.0667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.602	C1	C2	F7	108.602
C1	C2	H8	112.478	C2	C1	F3	113.116
C2	C1	F4	109.688	C2	C1	F5	109.688
F3	C1	F4	108.305	F3	C1	F5	108.305
F4	C1	F5	107.576	F6	C2	F7	108.235
F6	C2	H8	109.415	F7	C2	H8	109.415

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)