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	hartrees
Energy at 0K	-574.790045
Energy at 298.15K	-574.793463
HF Energy	-573.540795
Nuclear repulsion energy	358.815827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3129	3001
2	A'	1482	1422
3	A'	1345	1290
4	A'	1233	1183
5	A'	1153	1105
6	A'	876	840
7	A'	725	695
8	A'	580	556
9	A'	524	503
10	A'	365	350
11	A'	242	232
12	A"	1394	1337
13	A"	1271	1219
14	A"	1187	1139
15	A"	587	563
16	A"	416	399
17	A"	208	199
18	A"	73	70

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.602	0.000
C2	-0.605	0.748	0.000
F3	1.445	-0.440	0.000
F4	-0.233	-1.301	1.089
F5	-0.233	-1.301	-1.089
F6	-0.233	1.439	-1.103
F7	-0.233	1.439	1.103
H8	-1.699	0.603	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5316	1.3360	1.3416	1.3416	2.3465	2.3465	2.1806
C2	1.5316		2.3694	2.3503	2.3503	1.3538	1.3538	1.1033
F3	1.3360	2.3694		2.1786	2.1786	2.7503	2.7503	3.3123
F4	1.3416	2.3503	2.1786		2.1782	3.5095	2.7406	2.6381
F5	1.3416	2.3503	2.1786	2.1782		2.7406	3.5095	2.6381
F6	2.3465	1.3538	2.7503	3.5095	2.7406		2.2063	2.0160
F7	2.3465	1.3538	2.7503	2.7406	3.5095	2.2063		2.0160
H8	2.1806	1.1033	3.3123	2.6381	2.6381	2.0160	2.0160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.666	C1	C2	F7	108.666
C1	C2	H8	110.651	C2	C1	F3	111.253
C2	C1	F4	109.599	C2	C1	F5	109.599
F3	C1	F4	108.900	F3	C1	F5	108.900
F4	C1	F5	108.540	F6	C2	F7	109.139
F6	C2	H8	109.842	F7	C2	H8	109.842

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD(T)=FULL/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(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)