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	hartrees
Energy at 0K	-575.085348
Energy at 298.15K	-575.088756
HF Energy	-573.738671
Nuclear repulsion energy	358.289991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3137	3020
2	A'	1462	1408
3	A'	1324	1275
4	A'	1210	1165
5	A'	1143	1101
6	A'	868	836
7	A'	725	699
8	A'	580	558
9	A'	524	505
10	A'	361	347
11	A'	246	237
12	A"	1408	1356
13	A"	1225	1180
14	A"	1152	1110
15	A"	585	564
16	A"	415	400
17	A"	211	203
18	A"	72	70

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.605	0.000
C2	-0.604	0.753	0.000
F3	1.447	-0.454	0.000
F4	-0.234	-1.304	1.088
F5	-0.234	-1.304	-1.088
F6	-0.234	1.448	-1.102
F7	-0.234	1.448	1.102
H8	-1.688	0.614	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5398	1.3345	1.3415	1.3415	2.3569	2.3569	2.1813
C2	1.5398		2.3803	2.3569	2.3569	1.3541	1.3541	1.0922
F3	1.3345	2.3803		2.1757	2.1757	2.7675	2.7675	3.3118
F4	1.3415	2.3569	2.1757		2.1767	3.5174	2.7523	2.6417
F5	1.3415	2.3569	2.1757	2.1767		2.7523	3.5174	2.6417
F6	2.3569	1.3541	2.7675	3.5174	2.7523		2.2038	2.0053
F7	2.3569	1.3541	2.7675	2.7523	3.5174	2.2038		2.0053
H8	2.1813	1.0922	3.3118	2.6417	2.6417	2.0053	2.0053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.895	C1	C2	F7	108.895
C1	C2	H8	110.798	C2	C1	F3	111.615
C2	C1	F4	109.579	C2	C1	F5	109.579
F3	C1	F4	108.782	F3	C1	F5	108.782
F4	C1	F5	108.440	F6	C2	F7	108.925
F6	C2	H8	109.647	F7	C2	H8	109.647

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP4/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: MP4/TZVP

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)