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	hartrees
Energy at 0K	-574.753105
Energy at 298.15K	-574.756556
HF Energy	-573.541411
Nuclear repulsion energy	359.260822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3019	28.64
2	A'	1498	1437	5.36
3	A'	1359	1304	192.15
4	A'	1247	1197	200.83
5	A'	1164	1117	131.54
6	A'	885	849	50.96
7	A'	732	702	35.22
8	A'	585	562	15.61
9	A'	529	507	9.97
10	A'	368	353	0.05
11	A'	244	234	4.53
12	A"	1404	1347	23.03
13	A"	1287	1235	378.76
14	A"	1202	1153	105.31
15	A"	593	569	1.20
16	A"	420	403	1.29
17	A"	210	202	3.03
18	A"	73	70	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.601	0.000
C2	-0.604	0.748	0.000
F3	1.444	-0.442	0.000
F4	-0.233	-1.300	1.087
F5	-0.233	-1.300	-1.087
F6	-0.233	1.439	-1.101
F7	-0.233	1.439	1.101
H8	-1.697	0.602	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5309	1.3336	1.3393	1.3393	2.3449	2.3449	2.1785
C2	1.5309		2.3683	2.3480	2.3480	1.3517	1.3517	1.1023
F3	1.3336	2.3683		2.1743	2.1743	2.7499	2.7499	3.3093
F4	1.3393	2.3480	2.1743		2.1740	3.5055	2.7388	2.6346
F5	1.3393	2.3480	2.1743	2.1740		2.7388	3.5055	2.6346
F6	2.3449	1.3517	2.7499	3.5055	2.7388		2.2021	2.0135
F7	2.3449	1.3517	2.7499	2.7388	3.5055	2.2021		2.0135
H8	2.1785	1.1023	3.3093	2.6346	2.6346	2.0135	2.0135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.712	C1	C2	F7	108.712
C1	C2	H8	110.594	C2	C1	F3	111.352
C2	C1	F4	109.597	C2	C1	F5	109.597
F3	C1	F4	108.870	F3	C1	F5	108.870
F4	C1	F5	108.503	F6	C2	F7	109.084
F6	C2	H8	109.852	F7	C2	H8	109.852

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)