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	hartrees
Energy at 0K	-574.743620
Energy at 298.15K	-574.747065
HF Energy	-573.541291
Nuclear repulsion energy	359.300773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3020	28.15
2	A'	1495	1421	5.91
3	A'	1352	1285	177.81
4	A'	1236	1175	215.10
5	A'	1162	1105	131.08
6	A'	884	840	53.03
7	A'	730	694	33.27
8	A'	584	555	14.86
9	A'	527	501	9.06
10	A'	368	350	0.04
11	A'	244	232	4.40
12	A"	1404	1334	20.11
13	A"	1268	1205	396.44
14	A"	1192	1132	96.35
15	A"	592	562	0.92
16	A"	419	398	1.18
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	-0.603	0.746	0.000
F3	1.444	-0.439	0.000
F4	-0.233	-1.299	1.088
F5	-0.233	-1.299	-1.088
F6	-0.233	1.436	-1.102
F7	-0.233	1.436	1.102
H8	-1.693	0.601	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5271	1.3346	1.3406	1.3406	2.3421	2.3421	2.1735
C2	1.5271		2.3655	2.3456	2.3456	1.3524	1.3524	1.0995
F3	1.3346	2.3655		2.1764	2.1764	2.7472	2.7472	3.3049
F4	1.3406	2.3456	2.1764		2.1763	3.5044	2.7354	2.6311
F5	1.3406	2.3456	2.1764	2.1763		2.7354	3.5044	2.6311
F6	2.3421	1.3524	2.7472	3.5044	2.7354		2.2048	2.0111
F7	2.3421	1.3524	2.7472	2.7354	3.5044	2.2048		2.0111
H8	2.1735	1.0995	3.3049	2.6311	2.6311	2.0111	2.0111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.702	C1	C2	F7	108.702
C1	C2	H8	110.635	C2	C1	F3	111.324
C2	C1	F4	109.584	C2	C1	F5	109.584
F3	C1	F4	108.887	F3	C1	F5	108.887
F4	C1	F5	108.523	F6	C2	F7	109.197
F6	C2	H8	109.787	F7	C2	H8	109.787

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

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

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)