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	hartrees
Energy at 0K	-574.763335
Energy at 298.15K	-574.766809
HF Energy	-573.541938
Nuclear repulsion energy	359.774220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3156	27.64
2	A'	1505	1505	5.81
3	A'	1366	1366	195.79
4	A'	1254	1254	201.39
5	A'	1172	1172	131.05
6	A'	890	890	50.40
7	A'	736	736	36.01
8	A'	589	589	15.86
9	A'	532	532	10.17
10	A'	370	370	0.05
11	A'	245	245	4.57
12	A"	1410	1410	23.77
13	A"	1296	1296	379.90
14	A"	1210	1210	105.32
15	A"	596	596	1.25
16	A"	422	422	1.32
17	A"	211	211	3.05
18	A"	74	74	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.601	0.000
C2	-0.603	0.747	0.000
F3	1.442	-0.442	0.000
F4	-0.233	-1.298	1.085
F5	-0.233	-1.298	-1.085
F6	-0.233	1.437	-1.100
F7	-0.233	1.437	1.100
H8	-1.694	0.601	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5292	1.3317	1.3373	1.3373	2.3418	2.3418	2.1753
C2	1.5292		2.3649	2.3447	2.3447	1.3497	1.3497	1.1011
F3	1.3317	2.3649		2.1713	2.1713	2.7460	2.7460	3.3043
F4	1.3373	2.3447	2.1713		2.1709	3.5004	2.7348	2.6303
F5	1.3373	2.3447	2.1713	2.1709		2.7348	3.5004	2.6303
F6	2.3418	1.3497	2.7460	3.5004	2.7348		2.1992	2.0110
F7	2.3418	1.3497	2.7460	2.7348	3.5004	2.1992		2.0110
H8	2.1753	1.1011	3.3043	2.6303	2.6303	2.0110	2.0110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.713	C1	C2	F7	108.713
C1	C2	H8	110.537	C2	C1	F3	111.324
C2	C1	F4	109.585	C2	C1	F5	109.585
F3	C1	F4	108.887	F3	C1	F5	108.887
F4	C1	F5	108.520	F6	C2	F7	109.114
F6	C2	H8	109.865	F7	C2	H8	109.865

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CCSD=FULL/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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)