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	hartrees
Energy at 0K	-574.433132
Energy at 298.15K	-574.436715
HF Energy	-573.515423
Nuclear repulsion energy	362.723373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3041	22.91
2	A'	1591	1470	4.67
3	A'	1442	1332	190.24
4	A'	1323	1222	206.54
5	A'	1234	1140	126.81
6	A'	939	868	55.07
7	A'	766	707	39.25
8	A'	605	559	18.28
9	A'	545	503	10.89
10	A'	382	352	0.07
11	A'	256	236	4.70
12	A"	1502	1387	23.81
13	A"	1367	1263	368.78
14	A"	1274	1177	114.04
15	A"	617	570	1.43
16	A"	439	405	1.65
17	A"	219	202	2.90
18	A"	81	75	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	-0.594	0.000
C2	-0.603	0.739	0.000
F3	1.428	-0.429	0.000
F4	-0.229	-1.288	1.078
F5	-0.229	-1.288	-1.078
F6	-0.229	1.421	-1.093
F7	-0.229	1.421	1.093
H8	-1.678	0.604	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5146	1.3223	1.3280	1.3280	2.3180	2.3180	2.1574
C2	1.5146		2.3429	2.3259	2.3259	1.3414	1.3414	1.0832
F3	1.3223	2.3429		2.1562	2.1562	2.7133	2.7133	3.2733
F4	1.3280	2.3259	2.1562		2.1562	3.4714	2.7089	2.6154
F5	1.3280	2.3259	2.1562	2.1562		2.7089	3.4714	2.6154
F6	2.3180	1.3414	2.7133	3.4714	2.7089		2.1858	1.9899
F7	2.3180	1.3414	2.7133	2.7089	3.4714	2.1858		1.9899
H8	2.1574	1.0832	3.2733	2.6154	2.6154	1.9899	1.9899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.362	C1	C2	F7	108.362
C1	C2	H8	111.218	C2	C1	F3	111.177
C2	C1	F4	109.644	C2	C1	F5	109.644
F3	C1	F4	108.892	F3	C1	F5	108.892
F4	C1	F5	108.542	F6	C2	F7	109.127
F6	C2	H8	109.862	F7	C2	H8	109.862

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

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

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)