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	hartrees
Energy at 0K	-574.728087
Energy at 298.15K	-574.731525
HF Energy	-573.541076
Nuclear repulsion energy	359.086084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3022	28.26
2	A'	1493	1422	5.83
3	A'	1351	1286	178.20
4	A'	1235	1176	214.65
5	A'	1161	1106	131.51
6	A'	883	841	53.11
7	A'	729	695	33.34
8	A'	583	556	14.86
9	A'	526	501	9.07
10	A'	367	350	0.04
11	A'	244	232	4.40
12	A"	1401	1335	20.03
13	A"	1266	1206	396.41
14	A"	1190	1134	96.46
15	A"	591	563	0.92
16	A"	418	398	1.19
17	A"	210	200	2.94
18	A"	74	70	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.600	0.000
C2	-0.604	0.746	0.000
F3	1.445	-0.440	0.000
F4	-0.233	-1.300	1.089
F5	-0.233	-1.300	-1.089
F6	-0.233	1.438	-1.103
F7	-0.233	1.438	1.103
H8	-1.694	0.601	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5284	1.3353	1.3413	1.3413	2.3437	2.3437	2.1755
C2	1.5284		2.3672	2.3472	2.3472	1.3531	1.3531	1.1004
F3	1.3353	2.3672		2.1775	2.1775	2.7492	2.7492	3.3074
F4	1.3413	2.3472	2.1775		2.1774	3.5065	2.7373	2.6332
F5	1.3413	2.3472	2.1775	2.1774		2.7373	3.5065	2.6332
F6	2.3437	1.3531	2.7492	3.5065	2.7373		2.2058	2.0124
F7	2.3437	1.3531	2.7492	2.7373	3.5065	2.2058		2.0124
H8	2.1755	1.1004	3.3074	2.6332	2.6332	2.0124	2.0124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.698	C1	C2	F7	108.698
C1	C2	H8	110.649	C2	C1	F3	111.335
C2	C1	F4	109.583	C2	C1	F5	109.583
F3	C1	F4	108.884	F3	C1	F5	108.884
F4	C1	F5	108.520	F6	C2	F7	109.190
F6	C2	H8	109.787	F7	C2	H8	109.787

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)