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	hartrees
Energy at 0K	-565.773116
Energy at 298.15K	-565.775726
HF Energy	-565.586171
Nuclear repulsion energy	343.272210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	2884	12.63
2	A'	1495	1304	37.82
3	A'	1369	1194	54.27
4	A'	1246	1087	50.55
5	A'	1199	1045	45.16
6	A'	857	747	6.18
7	A'	682	595	24.32
8	A'	541	472	15.57
9	A'	470	410	8.66
10	A'	324	282	0.08
11	A'	207	180	1.62
12	A"	1507	1314	9.82
13	A"	1391	1213	92.88
14	A"	1293	1127	17.55
15	A"	541	472	2.33
16	A"	377	329	1.53
17	A"	166	145	1.07
18	A"	9	8	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.125	-0.649	0.000
C2	-0.618	0.813	0.000
F3	1.507	-0.506	0.000
F4	-0.246	-1.371	1.129
F5	-0.246	-1.371	-1.129
F6	-0.246	1.534	-1.135
F7	-0.246	1.534	1.135
H8	-1.733	0.635	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.6398	1.3900	1.3908	1.3908	2.4880	2.4880	2.2584
C2	1.6398		2.5012	2.4865	2.4865	1.3948	1.3948	1.1293
F3	1.3900	2.5012		2.2583	2.2583	2.9193	2.9193	3.4354
F4	1.3908	2.4865	2.2583		2.2586	3.6829	2.9048	2.7402
F5	1.3908	2.4865	2.2583	2.2586		2.9048	3.6829	2.7402
F6	2.4880	1.3948	2.9193	3.6829	2.9048		2.2695	2.0752
F7	2.4880	1.3948	2.9193	2.9048	3.6829	2.2695		2.0752
H8	2.2584	1.1293	3.4354	2.7402	2.7402	2.0752	2.0752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.882	C1	C2	F7	109.882
C1	C2	H8	107.861	C2	C1	F3	111.015
C2	C1	F4	109.991	C2	C1	F5	109.991
F3	C1	F4	108.606	F3	C1	F5	108.606
F4	C1	F5	108.576	F6	C2	F7	108.887
F6	C2	H8	110.160	F7	C2	H8	110.160

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/STO-3G

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: MP2/STO-3G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)