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	hartrees
Energy at 0K	-574.934839
Energy at 298.15K	-574.938126
HF Energy	-573.582872
Nuclear repulsion energy	355.541944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3136	3064
2	A'	1493	1458
3	A'	1356	1324
4	A'	1236	1208
5	A'	1153	1126
6	A'	884	864
7	A'	717	701
8	A'	566	553
9	A'	511	499
10	A'	360	351
11	A'	243	237
12	A"	1424	1391
13	A"	1269	1240
14	A"	1182	1154
15	A"	581	567
16	A"	411	402
17	A"	206	202
18	A"	73	71

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.603	0.000
C2	-0.615	0.749	0.000
F3	1.457	-0.439	0.000
F4	-0.234	-1.315	1.100
F5	-0.234	-1.315	-1.100
F6	-0.234	1.451	-1.113
F7	-0.234	1.451	1.113
H8	-1.710	0.618	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5385	1.3482	1.3566	1.3566	2.3635	2.3635	2.1985
C2	1.5385		2.3885	2.3694	2.3694	1.3706	1.3706	1.1024
F3	1.3482	2.3885		2.1990	2.1990	2.7701	2.7701	3.3382
F4	1.3566	2.3694	2.1990		2.1995	3.5427	2.7663	2.6685
F5	1.3566	2.3694	2.1990	2.1995		2.7663	3.5427	2.6685
F6	2.3635	1.3706	2.7701	3.5427	2.7663		2.2269	2.0279
F7	2.3635	1.3706	2.7701	2.7663	3.5427	2.2269		2.0279
H8	2.1985	1.1024	3.3382	2.6685	2.6685	2.0279	2.0279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.535	C1	C2	F7	108.535
C1	C2	H8	111.642	C2	C1	F3	111.497
C2	C1	F4	109.696	C2	C1	F5	109.696
F3	C1	F4	108.781	F3	C1	F5	108.781
F4	C1	F5	108.326	F6	C2	F7	108.663
F6	C2	H8	109.703	F7	C2	H8	109.703

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP4/aug-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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)