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	hartrees
Energy at 0K	-575.458494
Energy at 298.15K	-575.461964
HF Energy	-573.748680
Nuclear repulsion energy	361.367891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3012	12.51
2	A'	1493	1420	1.68
3	A'	1347	1282	140.21
4	A'	1222	1163	203.02
5	A'	1165	1108	125.60
6	A'	891	848	47.79
7	A'	734	699	31.42
8	A'	585	556	14.10
9	A'	524	499	7.23
10	A'	369	351	0.04
11	A'	247	235	3.73
12	A"	1397	1329	6.72
13	A"	1241	1181	384.97
14	A"	1170	1113	95.68
15	A"	592	563	0.52
16	A"	422	401	0.90
17	A"	213	203	2.08
18	A"	77	74	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.598	0.000
C2	-0.601	0.742	0.000
F3	1.435	-0.441	0.000
F4	-0.232	-1.292	1.081
F5	-0.232	-1.292	-1.081
F6	-0.232	1.431	-1.094
F7	-0.232	1.431	1.094
H8	-1.677	0.600	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5211	1.3253	1.3320	1.3320	2.3320	2.3320	2.1591
C2	1.5211		2.3548	2.3330	2.3330	1.3448	1.3448	1.0859
F3	1.3253	2.3548		2.1618	2.1618	2.7354	2.7354	3.2819
F4	1.3320	2.3330	2.1618		2.1621	3.4857	2.7237	2.6147
F5	1.3320	2.3330	2.1618	2.1621		2.7237	3.4857	2.6147
F6	2.3320	1.3448	2.7354	3.4857	2.7237		2.1883	1.9946
F7	2.3320	1.3448	2.7354	2.7237	3.4857	2.1883		1.9946
H8	2.1591	1.0859	3.2819	2.6147	2.6147	1.9946	1.9946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.767	C1	C2	F7	108.767
C1	C2	H8	110.720	C2	C1	F3	111.456
C2	C1	F4	109.533	C2	C1	F5	109.533
F3	C1	F4	108.880	F3	C1	F5	108.880
F4	C1	F5	108.504	F6	C2	F7	108.900
F6	C2	H8	109.825	F7	C2	H8	109.825

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2=FULL/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=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)