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	hartrees
Energy at 0K	-574.644628
Energy at 298.15K	-574.648059
HF Energy	-573.514016
Nuclear repulsion energy	359.137021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3004	26.25
2	A'	1522	1433	2.43
3	A'	1380	1299	160.67
4	A'	1264	1190	195.40
5	A'	1175	1106	110.33
6	A'	898	845	52.48
7	A'	730	687	33.06
8	A'	577	543	16.22
9	A'	520	490	9.20
10	A'	366	344	0.04
11	A'	246	232	4.19
12	A"	1445	1360	20.07
13	A"	1301	1225	330.43
14	A"	1212	1141	104.35
15	A"	590	555	1.11
16	A"	418	394	1.40
17	A"	210	198	2.60
18	A"	76	71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.117	-0.597	0.000
C2	-0.609	0.742	0.000
F3	1.444	-0.427	0.000
F4	-0.232	-1.300	1.091
F5	-0.232	-1.300	-1.091
F6	-0.232	1.432	-1.106
F7	-0.232	1.432	1.106
H8	-1.690	0.604	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5228	1.3377	1.3437	1.3437	2.3366	2.3366	2.1688
C2	1.5228		2.3621	2.3453	2.3453	1.3568	1.3568	1.0892
F3	1.3377	2.3621		2.1815	2.1815	2.7357	2.7357	3.2982
F4	1.3437	2.3453	2.1815		2.1815	3.5052	2.7317	2.6340
F5	1.3437	2.3453	2.1815	2.1815		2.7317	3.5052	2.6340
F6	2.3366	1.3568	2.7357	3.5052	2.7317		2.2114	2.0082
F7	2.3366	1.3568	2.7357	2.7317	3.5052	2.2114		2.0082
H8	2.1688	1.0892	3.2982	2.6340	2.6340	2.0082	2.0082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.333	C1	C2	F7	108.333
C1	C2	H8	111.182	C2	C1	F3	111.164
C2	C1	F4	109.649	C2	C1	F5	109.649
F3	C1	F4	108.894	F3	C1	F5	108.894
F4	C1	F5	108.542	F6	C2	F7	109.158
F6	C2	H8	109.893	F7	C2	H8	109.893

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)