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	hartrees
Energy at 0K	-575.029962
Energy at 298.15K	-575.033434
HF Energy	-573.740085
Nuclear repulsion energy	359.449808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3014	16.34
2	A'	1483	1406	0.49
3	A'	1343	1273	162.15
4	A'	1226	1163	200.84
5	A'	1165	1104	162.06
6	A'	884	838	52.32
7	A'	738	700	35.40
8	A'	590	559	15.03
9	A'	533	505	8.75
10	A'	367	348	0.07
11	A'	250	237	4.55
12	A"	1425	1350	9.74
13	A"	1243	1178	394.42
14	A"	1173	1111	118.56
15	A"	595	564	0.69
16	A"	422	400	1.09
17	A"	215	203	3.03
18	A"	75	71	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.603	0.000
C2	-0.601	0.751	0.000
F3	1.443	-0.454	0.000
F4	-0.234	-1.299	1.085
F5	-0.234	-1.299	-1.085
F6	-0.234	1.443	-1.099
F7	-0.234	1.443	1.099
H8	-1.681	0.610	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5350	1.3302	1.3371	1.3371	2.3497	2.3497	2.1730
C2	1.5350		2.3731	2.3484	2.3484	1.3495	1.3495	1.0890
F3	1.3302	2.3731		2.1692	2.1692	2.7602	2.7602	3.3006
F4	1.3371	2.3484	2.1692		2.1695	3.5055	2.7424	2.6300
F5	1.3371	2.3484	2.1692	2.1695		2.7424	3.5055	2.6300
F6	2.3497	1.3495	2.7602	3.5055	2.7424		2.1975	1.9988
F7	2.3497	1.3495	2.7602	2.7424	3.5055	2.1975		1.9988
H8	2.1730	1.0890	3.3006	2.6300	2.6300	1.9988	1.9988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.924	C1	C2	F7	108.924
C1	C2	H8	110.660	C2	C1	F3	111.639
C2	C1	F4	109.516	C2	C1	F5	109.516
F3	C1	F4	108.830	F3	C1	F5	108.830
F4	C1	F5	108.448	F6	C2	F7	109.013
F6	C2	H8	109.645	F7	C2	H8	109.645

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)