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	hartrees
Energy at 0K	-574.741555
Energy at 298.15K	-574.745215
HF Energy	-573.671079
Nuclear repulsion energy	364.097618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3041	24.36
2	A'	1583	1465	3.39
3	A'	1431	1324	214.14
4	A'	1315	1217	216.77
5	A'	1235	1143	161.06
6	A'	937	867	55.53
7	A'	776	718	43.13
8	A'	620	573	18.23
9	A'	558	516	11.80
10	A'	388	359	0.10
11	A'	260	241	5.16
12	A"	1494	1382	21.81
13	A"	1353	1252	417.48
14	A"	1269	1174	128.27
15	A"	625	578	1.48
16	A"	446	413	1.59
17	A"	225	208	3.39
18	A"	83	77	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.597	0.000
C2	-0.596	0.743	0.000
F3	1.424	-0.443	0.000
F4	-0.230	-1.283	1.071
F5	-0.230	-1.283	-1.071
F6	-0.230	1.423	-1.085
F7	-0.230	1.423	1.085
H8	-1.670	0.607	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5187	1.3135	1.3192	1.3192	2.3194	2.3194	2.1566
C2	1.5187		2.3420	2.3208	2.3208	1.3316	1.3316	1.0827
F3	1.3135	2.3420		2.1419	2.1419	2.7194	2.7194	3.2671
F4	1.3192	2.3208	2.1419		2.1423	3.4602	2.7064	2.6065
F5	1.3192	2.3208	2.1419	2.1423		2.7064	3.4602	2.6065
F6	2.3194	1.3316	2.7194	3.4602	2.7064		2.1696	1.9789
F7	2.3194	1.3316	2.7194	2.7064	3.4602	2.1696		1.9789
H8	2.1566	1.0827	3.2671	2.6065	2.6065	1.9789	1.9789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.747	C1	C2	F7	108.747
C1	C2	H8	110.882	C2	C1	F3	111.368
C2	C1	F4	109.530	C2	C1	F5	109.530
F3	C1	F4	108.896	F3	C1	F5	108.896
F4	C1	F5	108.569	F6	C2	F7	109.104
F6	C2	H8	109.664	F7	C2	H8	109.664

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)