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	hartrees
Energy at 0K	-574.943851
Energy at 298.15K	-574.947185
HF Energy	-573.584417
Nuclear repulsion energy	356.547985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3133	3039
2	A'	1453	1409
3	A'	1308	1269
4	A'	1186	1151
5	A'	1118	1085
6	A'	857	832
7	A'	703	682
8	A'	560	543
9	A'	502	487
10	A'	356	345
11	A'	240	233
12	A"	1355	1314
13	A"	1206	1170
14	A"	1129	1096
15	A"	568	551
16	A"	405	392
17	A"	207	201
18	A"	80	77

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.603	0.000
C2	-0.614	0.748	0.000
F3	1.453	-0.438	0.000
F4	-0.233	-1.311	1.096
F5	-0.233	-1.311	-1.096
F6	-0.233	1.448	-1.110
F7	-0.233	1.448	1.110
H8	-1.707	0.615	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5363	1.3442	1.3521	1.3521	2.3578	2.3578	2.1942
C2	1.5363		2.3826	2.3637	2.3637	1.3660	1.3660	1.1016
F3	1.3442	2.3826		2.1925	2.1925	2.7625	2.7625	3.3306
F4	1.3521	2.3637	2.1925		2.1927	3.5326	2.7590	2.6614
F5	1.3521	2.3637	2.1925	2.1927		2.7590	3.5326	2.6614
F6	2.3578	1.3660	2.7625	3.5326	2.7590		2.2198	2.0243
F7	2.3578	1.3660	2.7625	2.7590	3.5326	2.2198		2.0243
H8	2.1942	1.1016	3.3306	2.6614	2.6614	2.0243	2.0243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.520	C1	C2	F7	108.520
C1	C2	H8	111.509	C2	C1	F3	111.440
C2	C1	F4	109.679	C2	C1	F5	109.679
F3	C1	F4	108.810	F3	C1	F5	108.810
F4	C1	F5	108.361	F6	C2	F7	108.684
F6	C2	H8	109.774	F7	C2	H8	109.774

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD(T)=FULL/aug-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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)