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	hartrees
Energy at 0K	-571.173727
Energy at 298.15K	-571.177022
HF Energy	-570.406253
Nuclear repulsion energy	353.505652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3067	22.46
2	A'	1501	1433	8.63
3	A'	1357	1295	126.44
4	A'	1254	1197	177.17
5	A'	1135	1083	64.86
6	A'	873	833	51.27
7	A'	696	664	32.52
8	A'	547	522	22.86
9	A'	501	478	14.69
10	A'	352	336	0.12
11	A'	232	221	6.18
12	A"	1470	1403	19.38
13	A"	1300	1241	254.33
14	A"	1194	1140	50.45
15	A"	574	548	2.28
16	A"	400	382	2.49
17	A"	195	186	4.28
18	A"	75	71	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.593	0.000
C2	-0.615	0.731	0.000
F3	1.477	-0.420	0.000
F4	-0.240	-1.307	1.116
F5	-0.240	-1.307	-1.116
F6	-0.240	1.440	-1.137
F7	-0.240	1.440	1.137
H8	-1.687	0.560	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5152	1.3672	1.3731	1.3731	2.3574	2.3574	2.1445
C2	1.5152		2.3880	2.3540	2.3540	1.3912	1.3912	1.0854
F3	1.3672	2.3880		2.2321	2.2321	2.7752	2.7752	3.3124
F4	1.3731	2.3540	2.2321		2.2315	3.5529	2.7474	2.6126
F5	1.3731	2.3540	2.2321	2.2315		2.7474	3.5529	2.6126
F6	2.3574	1.3912	2.7752	3.5529	2.7474		2.2740	2.0394
F7	2.3574	1.3912	2.7752	2.7474	3.5529	2.2740		2.0394
H8	2.1445	1.0854	3.3124	2.6126	2.6126	2.0394	2.0394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.327	C1	C2	F7	108.327
C1	C2	H8	110.001	C2	C1	F3	111.781
C2	C1	F4	109.075	C2	C1	F5	109.075
F3	C1	F4	109.083	F3	C1	F5	109.083
F4	C1	F5	108.693	F6	C2	F7	109.624
F6	C2	H8	110.257	F7	C2	H8	110.257

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)