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	hartrees
Energy at 0K	-574.117149
Energy at 298.15K	-574.120336
HF Energy	-573.313928
Nuclear repulsion energy	348.549640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3056	7.69
2	A'	1452	1380	1.80
3	A'	1325	1258	100.59
4	A'	1180	1121	189.08
5	A'	1080	1026	87.47
6	A'	847	805	72.05
7	A'	669	636	31.92
8	A'	528	502	23.85
9	A'	475	452	14.77
10	A'	344	327	0.10
11	A'	240	228	6.27
12	A"	1410	1339	5.93
13	A"	1199	1139	264.94
14	A"	1113	1058	82.57
15	A"	551	523	1.56
16	A"	387	368	3.00
17	A"	205	195	4.41
18	A"	76	73	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.594	0.000
C2	-0.627	0.737	0.000
F3	1.497	-0.423	0.000
F4	-0.242	-1.331	1.132
F5	-0.242	-1.331	-1.132
F6	-0.242	1.461	-1.150
F7	-0.242	1.461	1.150
H8	-1.708	0.605	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5252	1.3893	1.3976	1.3976	2.3822	2.3822	2.1843
C2	1.5252		2.4200	2.3880	2.3880	1.4124	1.4124	1.0890
F3	1.3893	2.4200		2.2649	2.2649	2.8103	2.8103	3.3656
F4	1.3976	2.3880	2.2649		2.2631	3.6053	2.7914	2.6783
F5	1.3976	2.3880	2.2649	2.2631		2.7914	3.6053	2.6783
F6	2.3822	1.4124	2.8103	3.6053	2.7914		2.3006	2.0502
F7	2.3822	1.4124	2.8103	2.7914	3.6053	2.3006		2.0502
H8	2.1843	1.0890	3.3656	2.6783	2.6783	2.0502	2.0502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.311	C1	C2	F7	108.311
C1	C2	H8	112.275	C2	C1	F3	112.184
C2	C1	F4	109.501	C2	C1	F5	109.501
F3	C1	F4	108.720	F3	C1	F5	108.720
F4	C1	F5	108.123	F6	C2	F7	109.061
F6	C2	H8	109.412	F7	C2	H8	109.412

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)