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	hartrees
Energy at 0K	-571.172487
Energy at 298.15K	-571.175811
HF Energy	-570.407705
Nuclear repulsion energy	354.539760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3193	19.90
2	A'	1503	1503	11.56
3	A'	1374	1374	134.32
4	A'	1274	1274	164.39
5	A'	1149	1149	66.30
6	A'	878	878	48.19
7	A'	703	703	36.52
8	A'	552	552	24.21
9	A'	506	506	16.39
10	A'	354	354	0.16
11	A'	233	233	6.40
12	A"	1469	1469	19.99
13	A"	1333	1333	238.88
14	A"	1221	1221	53.55
15	A"	579	579	2.83
16	A"	405	405	2.77
17	A"	195	195	4.31
18	A"	74	74	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.594	0.000
C2	-0.614	0.733	0.000
F3	1.472	-0.423	0.000
F4	-0.239	-1.305	1.110
F5	-0.239	-1.305	-1.110
F6	-0.239	1.439	-1.131
F7	-0.239	1.439	1.131
H8	-1.687	0.561	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5176	1.3614	1.3667	1.3667	2.3548	2.3548	2.1459
C2	1.5176		2.3849	2.3514	2.3514	1.3852	1.3852	1.0870
F3	1.3614	2.3849		2.2219	2.2219	2.7705	2.7705	3.3087
F4	1.3667	2.3514	2.2219		2.2207	3.5436	2.7444	2.6102
F5	1.3667	2.3514	2.2219	2.2207		2.7444	3.5436	2.6102
F6	2.3548	1.3852	2.7705	3.5436	2.7444		2.2629	2.0367
F7	2.3548	1.3852	2.7705	2.7444	3.5436	2.2629		2.0367
H8	2.1459	1.0870	3.3087	2.6102	2.6102	2.0367	2.0367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.343	C1	C2	F7	108.343
C1	C2	H8	109.851	C2	C1	F3	111.752
C2	C1	F4	109.113	C2	C1	F5	109.113
F3	C1	F4	109.071	F3	C1	F5	109.071
F4	C1	F5	108.669	F6	C2	F7	109.531
F6	C2	H8	110.361	F7	C2	H8	110.361

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP3=FULL/3-21G

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: MP3=FULL/3-21G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)