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	hartrees
Energy at 0K	-574.636535
Energy at 298.15K	-574.639945
HF Energy	-573.512027
Nuclear repulsion energy	359.065999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3007	23.71
2	A'	1516	1444	3.76
3	A'	1378	1312	162.01
4	A'	1261	1201	192.68
5	A'	1174	1118	109.05
6	A'	898	855	53.13
7	A'	730	695	33.27
8	A'	576	549	16.48
9	A'	520	495	9.18
10	A'	365	348	0.05
11	A'	246	234	4.23
12	A"	1439	1371	18.12
13	A"	1300	1238	331.35
14	A"	1209	1151	105.26
15	A"	590	562	1.09
16	A"	418	398	1.42
17	A"	210	200	2.59
18	A"	76	72	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.117	-0.597	0.000
C2	-0.610	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	-1.695	0.606	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5228	1.3377	1.3438	1.3438	2.3365	2.3365	2.1750
C2	1.5228		2.3624	2.3454	2.3454	1.3575	1.3575	1.0940
F3	1.3377	2.3624		2.1814	2.1814	2.7355	2.7355	3.3044
F4	1.3438	2.3454	2.1814		2.1817	3.5055	2.7316	2.6394
F5	1.3438	2.3454	2.1814	2.1817		2.7316	3.5055	2.6394
F6	2.3365	1.3575	2.7355	3.5055	2.7316		2.2126	2.0118
F7	2.3365	1.3575	2.7355	2.7316	3.5055	2.2126		2.0118
H8	2.1750	1.0940	3.3044	2.6394	2.6394	2.0118	2.0118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.292	C1	C2	F7	108.292
C1	C2	H8	111.384	C2	C1	F3	111.188
C2	C1	F4	109.654	C2	C1	F5	109.654
F3	C1	F4	108.879	F3	C1	F5	108.879
F4	C1	F5	108.537	F6	C2	F7	109.161
F6	C2	H8	109.831	F7	C2	H8	109.831

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)