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	hartrees
Energy at 0K	-575.348398
Energy at 298.15K	-575.351845
HF Energy	-573.747787
Nuclear repulsion energy	360.143009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3010	12.42
2	A'	1476	1406	1.36
3	A'	1337	1274	144.60
4	A'	1217	1159	194.98
5	A'	1158	1103	132.52
6	A'	882	841	46.82
7	A'	730	695	32.24
8	A'	581	554	14.16
9	A'	523	498	7.30
10	A'	365	348	0.04
11	A'	246	234	3.65
12	A"	1390	1325	7.05
13	A"	1236	1178	387.90
14	A"	1165	1110	93.05
15	A"	588	560	0.56
16	A"	418	398	0.88
17	A"	212	202	2.02
18	A"	78	75	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.601	0.000
C2	-0.604	0.747	0.000
F3	1.440	-0.445	0.000
F4	-0.233	-1.298	1.084
F5	-0.233	-1.298	-1.084
F6	-0.233	1.438	-1.097
F7	-0.233	1.438	1.097
H8	-1.683	0.608	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5305	1.3287	1.3355	1.3355	2.3422	2.3422	2.1713
C2	1.5305		2.3656	2.3437	2.3437	1.3482	1.3482	1.0887
F3	1.3287	2.3656		2.1673	2.1673	2.7467	2.7467	3.2956
F4	1.3355	2.3437	2.1673		2.1673	3.4981	2.7354	2.6285
F5	1.3355	2.3437	2.1673	2.1673		2.7354	3.4981	2.6285
F6	2.3422	1.3482	2.7467	3.4981	2.7354		2.1938	1.9992
F7	2.3422	1.3482	2.7467	2.7354	3.4981	2.1938		1.9992
H8	2.1713	1.0887	3.2956	2.6285	2.6285	1.9992	1.9992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.734	C1	C2	F7	108.734
C1	C2	H8	110.863	C2	C1	F3	111.466
C2	C1	F4	109.539	C2	C1	F5	109.539
F3	C1	F4	108.884	F3	C1	F5	108.884
F4	C1	F5	108.474	F6	C2	F7	108.895
F6	C2	H8	109.788	F7	C2	H8	109.788

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)