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	hartrees
Energy at 0K	-574.620462
Energy at 298.15K	-574.623908
HF Energy	-573.512853
Nuclear repulsion energy	359.708634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	2997	22.41
2	A'	1527	1445	4.45
3	A'	1390	1316	170.89
4	A'	1274	1206	191.44
5	A'	1188	1124	108.78
6	A'	905	857	52.20
7	A'	737	698	34.95
8	A'	582	551	16.95
9	A'	525	497	9.69
10	A'	368	348	0.06
11	A'	247	234	4.34
12	A"	1449	1372	19.29
13	A"	1319	1248	332.44
14	A"	1227	1162	104.62
15	A"	595	563	1.20
16	A"	423	400	1.51
17	A"	211	200	2.62
18	A"	77	73	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.117	-0.597	0.000
C2	-0.608	0.742	0.000
F3	1.441	-0.428	0.000
F4	-0.231	-1.298	1.088
F5	-0.231	-1.298	-1.088
F6	-0.231	1.430	-1.104
F7	-0.231	1.430	1.104
H8	-1.693	0.605	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5223	1.3348	1.3406	1.3406	2.3338	2.3338	2.1729
C2	1.5223		2.3592	2.3423	2.3423	1.3543	1.3543	1.0936
F3	1.3348	2.3592		2.1767	2.1767	2.7320	2.7320	3.2999
F4	1.3406	2.3423	2.1767		2.1770	3.4994	2.7276	2.6351
F5	1.3406	2.3423	2.1767	2.1770		2.7276	3.4994	2.6351
F6	2.3338	1.3543	2.7320	3.4994	2.7276		2.2077	2.0091
F7	2.3338	1.3543	2.7320	2.7276	3.4994	2.2077		2.0091
H8	2.1729	1.0936	3.2999	2.6351	2.6351	2.0091	2.0091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.309	C1	C2	F7	108.309
C1	C2	H8	111.273	C2	C1	F3	111.158
C2	C1	F4	109.637	C2	C1	F5	109.637
F3	C1	F4	108.899	F3	C1	F5	108.899
F4	C1	F5	108.565	F6	C2	F7	109.191
F6	C2	H8	109.855	F7	C2	H8	109.855

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)