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	hartrees
Energy at 0K	-574.749210
Energy at 298.15K	-574.752677
HF Energy	-573.541743
Nuclear repulsion energy	359.565986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	2985	27.71
2	A'	1503	1423	5.74
3	A'	1365	1293	196.12
4	A'	1253	1187	200.85
5	A'	1170	1109	131.32
6	A'	888	841	50.44
7	A'	735	696	36.08
8	A'	588	557	15.86
9	A'	531	503	10.18
10	A'	369	350	0.05
11	A'	245	232	4.57
12	A"	1408	1333	23.67
13	A"	1294	1226	379.68
14	A"	1209	1145	105.34
15	A"	595	564	1.25
16	A"	421	399	1.32
17	A"	211	200	3.05
18	A"	74	70	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.601	0.000
C2	-0.603	0.748	0.000
F3	1.442	-0.442	0.000
F4	-0.233	-1.299	1.086
F5	-0.233	-1.299	-1.086
F6	-0.233	1.438	-1.100
F7	-0.233	1.438	1.100
H8	-1.696	0.601	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5304	1.3323	1.3380	1.3380	2.3434	2.3434	2.1773
C2	1.5304		2.3666	2.3463	2.3463	1.3504	1.3504	1.1020
F3	1.3323	2.3666		2.1723	2.1723	2.7478	2.7478	3.3069
F4	1.3380	2.3463	2.1723		2.1719	3.5025	2.7366	2.6324
F5	1.3380	2.3463	2.1723	2.1719		2.7366	3.5025	2.6324
F6	2.3434	1.3504	2.7478	3.5025	2.7366		2.2002	2.0123
F7	2.3434	1.3504	2.7478	2.7366	3.5025	2.2002		2.0123
H8	2.1773	1.1020	3.3069	2.6324	2.6324	2.0123	2.0123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.710	C1	C2	F7	108.710
C1	C2	H8	110.550	C2	C1	F3	111.335
C2	C1	F4	109.584	C2	C1	F5	109.584
F3	C1	F4	108.884	F3	C1	F5	108.884
F4	C1	F5	108.517	F6	C2	F7	109.106
F6	C2	H8	109.866	F7	C2	H8	109.866

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)