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	hartrees
Energy at 0K	-571.204271
Energy at 298.15K	-571.207490
HF Energy	-570.404699
Nuclear repulsion energy	352.306556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3142	3047
2	A'	1472	1428
3	A'	1330	1290
4	A'	1233	1196
5	A'	1113	1080
6	A'	854	828
7	A'	682	662
8	A'	537	521
9	A'	493	478
10	A'	345	335
11	A'	227	220
12	A"	1444	1400
13	A"	1283	1244
14	A"	1175	1140
15	A"	564	547
16	A"	393	382
17	A"	190	184
18	A"	72	69

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.596	0.000
C2	-0.618	0.736	0.000
F3	1.481	-0.422	0.000
F4	-0.240	-1.313	1.119
F5	-0.240	-1.313	-1.119
F6	-0.240	1.446	-1.140
F7	-0.240	1.446	1.140
H8	-1.695	0.565	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5232	1.3714	1.3771	1.3771	2.3664	2.3664	2.1559
C2	1.5232		2.3973	2.3643	2.3643	1.3952	1.3952	1.0908
F3	1.3714	2.3973		2.2386	2.2386	2.7842	2.7842	3.3265
F4	1.3771	2.3643	2.2386		2.2383	3.5654	2.7583	2.6256
F5	1.3771	2.3643	2.2386	2.2383		2.7583	3.5654	2.6256
F6	2.3664	1.3952	2.7842	3.5654	2.7583		2.2802	2.0475
F7	2.3664	1.3952	2.7842	2.7583	3.5654	2.2802		2.0475
H8	2.1559	1.0908	3.3265	2.6256	2.6256	2.0475	2.0475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.278	C1	C2	F7	108.278
C1	C2	H8	110.029	C2	C1	F3	111.725
C2	C1	F4	109.105	C2	C1	F5	109.105
F3	C1	F4	109.070	F3	C1	F5	109.070
F4	C1	F5	108.714	F6	C2	F7	109.601
F6	C2	H8	110.302	F7	C2	H8	110.302

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)