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	hartrees
Energy at 0K	-574.645426
Energy at 298.15K	-574.648853
HF Energy	-573.514012
Nuclear repulsion energy	359.421919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3001	25.27
2	A'	1519	1419	2.92
3	A'	1373	1283	150.96
4	A'	1253	1171	208.77
5	A'	1174	1097	104.53
6	A'	898	839	53.18
7	A'	729	681	31.62
8	A'	576	538	15.54
9	A'	519	485	8.45
10	A'	366	342	0.04
11	A'	246	230	4.09
12	A"	1442	1348	18.62
13	A"	1285	1200	345.41
14	A"	1203	1124	94.66
15	A"	589	550	0.88
16	A"	418	391	1.29
17	A"	210	196	2.53
18	A"	78	73	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	-0.595	0.000
C2	-0.609	0.739	0.000
F3	1.443	-0.421	0.000
F4	-0.232	-1.298	1.092
F5	-0.232	-1.298	-1.092
F6	-0.232	1.427	-1.107
F7	-0.232	1.427	1.107
H8	-1.688	0.602	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5186	1.3380	1.3441	1.3441	2.3316	2.3316	2.1652
C2	1.5186		2.3565	2.3420	2.3420	1.3567	1.3567	1.0876
F3	1.3380	2.3565		2.1828	2.1828	2.7280	2.7280	3.2932
F4	1.3441	2.3420	2.1828		2.1831	3.5016	2.7256	2.6313
F5	1.3441	2.3420	2.1828	2.1831		2.7256	3.5016	2.6313
F6	2.3316	1.3567	2.7280	3.5016	2.7256		2.2132	2.0066
F7	2.3316	1.3567	2.7280	2.7256	3.5016	2.2132		2.0066
H8	2.1652	1.0876	3.2932	2.6313	2.6313	2.0066	2.0066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.238	C1	C2	F7	108.238
C1	C2	H8	111.281	C2	C1	F3	111.012
C2	C1	F4	109.642	C2	C1	F5	109.642
F3	C1	F4	108.948	F3	C1	F5	108.948
F4	C1	F5	108.607	F6	C2	F7	109.305
F6	C2	H8	109.865	F7	C2	H8	109.865

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)