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	hartrees
Energy at 0K	-574.964669
Energy at 298.15K	-574.968144
HF Energy	-573.546047
Nuclear repulsion energy	362.270619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	2981	21.81
2	A'	1502	1419	3.26
3	A'	1363	1288	150.59
4	A'	1253	1184	183.91
5	A'	1184	1118	91.56
6	A'	900	850	41.06
7	A'	739	698	31.04
8	A'	587	554	13.82
9	A'	530	501	7.21
10	A'	369	349	0.03
11	A'	245	231	3.50
12	A"	1426	1346	15.25
13	A"	1289	1218	334.30
14	A"	1208	1141	75.01
15	A"	597	564	0.75
16	A"	422	398	0.96
17	A"	208	197	1.98
18	A"	82	78	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	-0.598	0.000
C2	-0.606	0.743	0.000
F3	1.427	-0.420	0.000
F4	-0.228	-1.292	1.080
F5	-0.228	-1.292	-1.080
F6	-0.228	1.420	-1.095
F7	-0.228	1.420	1.095
H8	-1.690	0.606	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5235	1.3237	1.3287	1.3287	2.3218	2.3218	2.1703
C2	1.5235		2.3427	2.3346	2.3346	1.3413	1.3413	1.0923
F3	1.3237	2.3427		2.1603	2.1603	2.7065	2.7065	3.2816
F4	1.3287	2.3346	2.1603		2.1603	3.4760	2.7116	2.6274
F5	1.3287	2.3346	2.1603	2.1603		2.7116	3.4760	2.6274
F6	2.3218	1.3413	2.7065	3.4760	2.7116		2.1893	1.9993
F7	2.3218	1.3413	2.7065	2.7116	3.4760	2.1893		1.9993
H8	2.1703	1.0923	3.2816	2.6274	2.6274	1.9993	1.9993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.109	C1	C2	F7	108.109
C1	C2	H8	111.055	C2	C1	F3	110.541
C2	C1	F4	109.680	C2	C1	F5	109.680
F3	C1	F4	109.073	F3	C1	F5	109.073
F4	C1	F5	108.763	F6	C2	F7	109.397
F6	C2	H8	110.058	F7	C2	H8	110.058

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)