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	hartrees
Energy at 0K	-574.205261
Energy at 298.15K	-574.208209
HF Energy	-573.450140
Nuclear repulsion energy	344.142299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3098	8.34
2	A'	1396	1348	4.62
3	A'	1259	1215	87.07
4	A'	1075	1038	195.74
5	A'	1021	985	110.81
6	A'	797	769	80.53
7	A'	636	614	30.60
8	A'	505	488	22.59
9	A'	453	437	14.54
10	A'	328	317	0.07
11	A'	231	223	7.03
12	A"	1338	1292	2.34
13	A"	1078	1041	352.49
14	A"	1023	987	47.53
15	A"	520	502	1.21
16	A"	368	355	2.65
17	A"	198	191	5.09
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	-0.454	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	-1.724	0.627	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5540	1.4011	1.4129	1.4129	2.4210	2.4210	2.2174
C2	1.5540		2.4674	2.4271	2.4271	1.4261	1.4261	1.0951
F3	1.4011	2.4674		2.2809	2.2809	2.8682	2.8682	3.4145
F4	1.4129	2.4271	2.2809		2.2799	3.6560	2.8456	2.7211
F5	1.4129	2.4271	2.2809	2.2799		2.8456	3.6560	2.7211
F6	2.4210	1.4261	2.8682	3.6560	2.8456		2.3109	2.0668
F7	2.4210	1.4261	2.8682	2.8456	3.6560	2.3109		2.0668
H8	2.2174	1.0951	3.4145	2.7211	2.7211	2.0668	2.0668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.586	C1	C2	F7	108.586
C1	C2	H8	112.506	C2	C1	F3	113.122
C2	C1	F4	109.688	C2	C1	F5	109.688
F3	C1	F4	108.303	F3	C1	F5	108.303
F4	C1	F5	107.573	F6	C2	F7	108.233
F6	C2	H8	109.417	F7	C2	H8	109.417

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)