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	hartrees
Energy at 0K	-574.631006
Energy at 298.15K	-574.634434
HF Energy	-573.512432
Nuclear repulsion energy	359.396278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	2986	22.85
2	A'	1521	1437	4.10
3	A'	1384	1307	165.37
4	A'	1267	1196	192.64
5	A'	1180	1115	108.69
6	A'	902	851	52.74
7	A'	733	693	34.10
8	A'	579	547	16.73
9	A'	522	493	9.38
10	A'	367	346	0.05
11	A'	247	233	4.27
12	A"	1444	1363	18.61
13	A"	1308	1235	332.00
14	A"	1217	1149	104.99
15	A"	592	559	1.13
16	A"	420	397	1.46
17	A"	211	199	2.60
18	A"	77	72	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.117	-0.597	0.000
C2	-0.609	0.741	0.000
F3	1.442	-0.427	0.000
F4	-0.231	-1.299	1.090
F5	-0.231	-1.299	-1.090
F6	-0.231	1.430	-1.105
F7	-0.231	1.430	1.105
H8	-1.694	0.605	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5222	1.3363	1.3423	1.3423	2.3348	2.3348	2.1735
C2	1.5222		2.3604	2.3436	2.3436	1.3560	1.3560	1.0937
F3	1.3363	2.3604		2.1793	2.1793	2.7332	2.7332	3.3018
F4	1.3423	2.3436	2.1793		2.1795	3.5023	2.7292	2.6368
F5	1.3423	2.3436	2.1793	2.1795		2.7292	3.5023	2.6368
F6	2.3348	1.3560	2.7332	3.5023	2.7292		2.2104	2.0105
F7	2.3348	1.3560	2.7332	2.7292	3.5023	2.2104		2.0105
H8	2.1735	1.0937	3.3018	2.6368	2.6368	2.0105	2.0105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.290	C1	C2	F7	108.290
C1	C2	H8	111.328	C2	C1	F3	111.168
C2	C1	F4	109.640	C2	C1	F5	109.640
F3	C1	F4	108.896	F3	C1	F5	108.896
F4	C1	F5	108.553	F6	C2	F7	109.183
F6	C2	H8	109.850	F7	C2	H8	109.850

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

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

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)