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	hartrees
Energy at 0K	-574.737083
Energy at 298.15K	-574.740748
HF Energy	-573.671115
Nuclear repulsion energy	364.201587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3055	24.14
2	A'	1585	1472	3.48
3	A'	1433	1332	216.12
4	A'	1317	1224	215.96
5	A'	1237	1149	161.03
6	A'	938	872	55.27
7	A'	777	722	43.40
8	A'	620	576	18.31
9	A'	558	519	11.89
10	A'	388	361	0.10
11	A'	261	242	5.18
12	A"	1495	1389	22.10
13	A"	1356	1260	417.23
14	A"	1272	1182	128.42
15	A"	626	582	1.50
16	A"	447	415	1.60
17	A"	225	209	3.40
18	A"	83	77	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.597	0.000
C2	-0.596	0.743	0.000
F3	1.423	-0.444	0.000
F4	-0.230	-1.283	1.071
F5	-0.230	-1.283	-1.071
F6	-0.230	1.423	-1.084
F7	-0.230	1.423	1.084
H8	-1.670	0.607	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5186	1.3130	1.3187	1.3187	2.3190	2.3190	2.1563
C2	1.5186		2.3416	2.3204	2.3204	1.3311	1.3311	1.0826
F3	1.3130	2.3416		2.1411	2.1411	2.7189	2.7189	3.2664
F4	1.3187	2.3204	2.1411		2.1414	3.4592	2.7059	2.6060
F5	1.3187	2.3204	2.1411	2.1414		2.7059	3.4592	2.6060
F6	2.3190	1.3311	2.7189	3.4592	2.7059		2.1688	1.9784
F7	2.3190	1.3311	2.7189	2.7059	3.4592	2.1688		1.9784
H8	2.1563	1.0826	3.2664	2.6060	2.6060	1.9784	1.9784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.749	C1	C2	F7	108.749
C1	C2	H8	110.866	C2	C1	F3	111.364
C2	C1	F4	109.531	C2	C1	F5	109.531
F3	C1	F4	108.897	F3	C1	F5	108.897
F4	C1	F5	108.570	F6	C2	F7	109.104
F6	C2	H8	109.669	F7	C2	H8	109.669

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)