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	hartrees
Energy at 0K	-565.774066
Energy at 298.15K	-565.776676
HF Energy	-565.586198
Nuclear repulsion energy	343.298511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	2941	12.63
2	A'	1495	1329	37.75
3	A'	1369	1217	54.26
4	A'	1247	1108	50.61
5	A'	1199	1066	44.99
6	A'	857	762	6.19
7	A'	682	606	24.29
8	A'	541	481	15.57
9	A'	470	418	8.66
10	A'	324	288	0.08
11	A'	207	184	1.62
12	A"	1508	1340	9.82
13	A"	1392	1237	92.84
14	A"	1293	1149	17.53
15	A"	541	481	2.32
16	A"	377	335	1.53
17	A"	166	148	1.07
18	A"	9	8	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.125	-0.649	0.000
C2	-0.618	0.813	0.000
F3	1.507	-0.505	0.000
F4	-0.246	-1.371	1.129
F5	-0.246	-1.371	-1.129
F6	-0.246	1.534	-1.135
F7	-0.246	1.534	1.135
H8	-1.733	0.635	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.6394	1.3900	1.3908	1.3908	2.4877	2.4877	2.2580
C2	1.6394		2.5008	2.4862	2.4862	1.3948	1.3948	1.1293
F3	1.3900	2.5008		2.2582	2.2582	2.9190	2.9190	3.4351
F4	1.3908	2.4862	2.2582		2.2585	3.6826	2.9045	2.7399
F5	1.3908	2.4862	2.2582	2.2585		2.9045	3.6826	2.7399
F6	2.4877	1.3948	2.9190	3.6826	2.9045		2.2694	2.0751
F7	2.4877	1.3948	2.9190	2.9045	3.6826	2.2694		2.0751
H8	2.2580	1.1293	3.4351	2.7399	2.7399	2.0751	2.0751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.884	C1	C2	F7	109.884
C1	C2	H8	107.863	C2	C1	F3	111.016
C2	C1	F4	109.993	C2	C1	F5	109.993
F3	C1	F4	108.604	F3	C1	F5	108.604
F4	C1	F5	108.575	F6	C2	F7	108.886
F6	C2	H8	110.157	F7	C2	H8	110.157

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)