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	hartrees
Energy at 0K	-574.740378
Energy at 298.15K	-574.743865
HF Energy	-573.542159
Nuclear repulsion energy	359.927802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3020	27.43
2	A'	1509	1444	5.98
3	A'	1372	1313	203.89
4	A'	1261	1207	198.90
5	A'	1179	1128	131.24
6	A'	893	854	49.48
7	A'	739	707	37.05
8	A'	591	566	16.15
9	A'	534	511	10.55
10	A'	371	355	0.06
11	A'	246	235	4.63
12	A"	1415	1354	25.15
13	A"	1307	1250	379.74
14	A"	1221	1169	104.87
15	A"	598	572	1.33
16	A"	424	405	1.38
17	A"	211	202	3.07
18	A"	75	71	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.601	0.000
C2	-0.602	0.748	0.000
F3	1.441	-0.443	0.000
F4	-0.233	-1.298	1.085
F5	-0.233	-1.298	-1.085
F6	-0.233	1.437	-1.099
F7	-0.233	1.437	1.099
H8	-1.695	0.601	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5306	1.3306	1.3360	1.3360	2.3423	2.3423	2.1766
C2	1.5306		2.3650	2.3450	2.3450	1.3484	1.3484	1.1018
F3	1.3306	2.3650		2.1693	2.1693	2.7461	2.7461	3.3045
F4	1.3360	2.3450	2.1693		2.1690	3.4993	2.7349	2.6307
F5	1.3360	2.3450	2.1693	2.1690		2.7349	3.4993	2.6307
F6	2.3423	1.3484	2.7461	3.4993	2.7349		2.1971	2.0106
F7	2.3423	1.3484	2.7461	2.7349	3.4993	2.1971		2.0106
H8	2.1766	1.1018	3.3045	2.6307	2.6307	2.0106	2.0106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.728	C1	C2	F7	108.728
C1	C2	H8	110.489	C2	C1	F3	111.308
C2	C1	F4	109.588	C2	C1	F5	109.588
F3	C1	F4	108.885	F3	C1	F5	108.885
F4	C1	F5	108.534	F6	C2	F7	109.116
F6	C2	H8	109.874	F7	C2	H8	109.874

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)