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	hartrees
Energy at 0K	-574.733279
Energy at 298.15K	-574.736775
HF Energy	-573.542508
Nuclear repulsion energy	360.288601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3007	26.97
2	A'	1512	1433	6.20
3	A'	1376	1304	206.82
4	A'	1265	1199	199.24
5	A'	1184	1122	131.71
6	A'	896	849	48.92
7	A'	742	703	37.66
8	A'	593	562	16.40
9	A'	536	508	10.66
10	A'	371	352	0.06
11	A'	245	233	4.64
12	A"	1419	1345	25.11
13	A"	1311	1243	382.55
14	A"	1226	1162	104.08
15	A"	600	569	1.35
16	A"	425	403	1.40
17	A"	211	200	3.06
18	A"	75	71	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.601	0.000
C2	-0.602	0.748	0.000
F3	1.439	-0.443	0.000
F4	-0.232	-1.297	1.083
F5	-0.232	-1.297	-1.083
F6	-0.232	1.436	-1.097
F7	-0.232	1.436	1.097
H8	-1.693	0.601	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5299	1.3291	1.3345	1.3345	2.3403	2.3403	2.1746
C2	1.5299		2.3630	2.3432	2.3432	1.3469	1.3469	1.1006
F3	1.3291	2.3630		2.1670	2.1670	2.7433	2.7433	3.3011
F4	1.3345	2.3432	2.1670		2.1667	3.4959	2.7324	2.6281
F5	1.3345	2.3432	2.1670	2.1667		2.7324	3.4959	2.6281
F6	2.3403	1.3469	2.7433	3.4959	2.7324		2.1946	2.0087
F7	2.3403	1.3469	2.7433	2.7324	3.4959	2.1946		2.0087
H8	2.1746	1.1006	3.3011	2.6281	2.6281	2.0087	2.0087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.713	C1	C2	F7	108.713
C1	C2	H8	110.451	C2	C1	F3	111.291
C2	C1	F4	109.589	C2	C1	F5	109.589
F3	C1	F4	108.888	F3	C1	F5	108.888
F4	C1	F5	108.545	F6	C2	F7	109.119
F6	C2	H8	109.906	F7	C2	H8	109.906

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)