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	hartrees
Energy at 0K	-574.795386
Energy at 298.15K	-574.798782
HF Energy	-573.540165
Nuclear repulsion energy	358.332937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3130	3021
2	A'	1476	1424
3	A'	1336	1290
4	A'	1223	1181
5	A'	1144	1104
6	A'	871	840
7	A'	720	695
8	A'	577	556
9	A'	521	503
10	A'	363	350
11	A'	241	233
12	A"	1390	1341
13	A"	1256	1212
14	A"	1176	1135
15	A"	584	564
16	A"	413	399
17	A"	207	200
18	A"	73	70

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.602	0.000
C2	-0.605	0.748	0.000
F3	1.447	-0.440	0.000
F4	-0.234	-1.303	1.091
F5	-0.234	-1.303	-1.091
F6	-0.234	1.441	-1.105
F7	-0.234	1.441	1.105
H8	-1.699	0.604	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5319	1.3383	1.3440	1.3440	2.3487	2.3487	2.1817
C2	1.5319		2.3716	2.3529	2.3529	1.3559	1.3559	1.1036
F3	1.3383	2.3716		2.1821	2.1821	2.7534	2.7534	3.3153
F4	1.3440	2.3529	2.1821		2.1820	3.5142	2.7438	2.6411
F5	1.3440	2.3529	2.1821	2.1820		2.7438	3.5142	2.6411
F6	2.3487	1.3559	2.7534	3.5142	2.7438		2.2097	2.0173
F7	2.3487	1.3559	2.7534	2.7438	3.5142	2.2097		2.0173
H8	2.1817	1.1036	3.3153	2.6411	2.6411	2.0173	2.0173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.689	C1	C2	F7	108.689
C1	C2	H8	110.702	C2	C1	F3	111.253
C2	C1	F4	109.624	C2	C1	F5	109.624
F3	C1	F4	108.879	F3	C1	F5	108.879
F4	C1	F5	108.531	F6	C2	F7	109.142
F6	C2	H8	109.792	F7	C2	H8	109.792

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP4=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)