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	hartrees
Energy at 0K	-575.083562
Energy at 298.15K	-575.087122
HF Energy	-573.671736
Nuclear repulsion energy	361.822486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3190	22.73
2	A'	1520	1520	3.29
3	A'	1383	1383	200.22
4	A'	1274	1274	199.72
5	A'	1197	1197	136.90
6	A'	905	905	48.75
7	A'	750	750	39.30
8	A'	600	600	16.60
9	A'	541	541	10.70
10	A'	376	376	0.08
11	A'	252	252	4.76
12	A"	1444	1444	20.75
13	A"	1315	1315	375.51
14	A"	1235	1235	112.41
15	A"	606	606	1.31
16	A"	432	432	1.43
17	A"	218	218	3.08
18	A"	80	80	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.601	0.000
C2	-0.599	0.746	0.000
F3	1.433	-0.443	0.000
F4	-0.232	-1.291	1.079
F5	-0.232	-1.291	-1.079
F6	-0.232	1.430	-1.093
F7	-0.232	1.430	1.093
H8	-1.680	0.602	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5266	1.3225	1.3281	1.3281	2.3329	2.3329	2.1643
C2	1.5266		2.3542	2.3342	2.3342	1.3406	1.3406	1.0903
F3	1.3225	2.3542		2.1572	2.1572	2.7336	2.7336	3.2833
F4	1.3281	2.3342	2.1572		2.1575	3.4815	2.7215	2.6161
F5	1.3281	2.3342	2.1572	2.1575		2.7215	3.4815	2.6161
F6	2.3329	1.3406	2.7336	3.4815	2.7215		2.1852	1.9946
F7	2.3329	1.3406	2.7336	2.7215	3.4815	2.1852		1.9946
H8	2.1643	1.0903	3.2833	2.6161	2.6161	1.9946	1.9946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.733	C1	C2	F7	108.733
C1	C2	H8	110.489	C2	C1	F3	111.239
C2	C1	F4	109.515	C2	C1	F5	109.515
F3	C1	F4	108.946	F3	C1	F5	108.946
F4	C1	F5	108.634	F6	C2	F7	109.172
F6	C2	H8	109.841	F7	C2	H8	109.841

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP3=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)