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	hartrees
Energy at 0K	-132.035384
Energy at 298.15K	-132.038746
HF Energy	-130.907029
Nuclear repulsion energy	201.001691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3037	18.66
2	A'	1485	1415	1.64
3	A'	1334	1271	160.59
4	A'	1211	1153	197.88
5	A'	1145	1091	154.04
6	A'	871	830	55.21
7	A'	717	683	33.42
8	A'	570	543	15.16
9	A'	513	489	8.42
10	A'	358	341	0.04
11	A'	245	233	4.54
12	A"	1403	1336	11.00
13	A"	1230	1172	403.48
14	A"	1159	1105	112.25
15	A"	577	550	0.65
16	A"	409	390	1.10
17	A"	210	200	2.88
18	A"	76	72	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.122	-0.606	0.000
C2	-0.613	0.756	0.000
F3	1.457	-0.453	0.000
F4	-0.235	-1.313	1.096
F5	-0.235	-1.313	-1.096
F6	-0.235	1.455	-1.110
F7	-0.235	1.455	1.110
H8	-1.698	0.622	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5471	1.3445	1.3520	1.3520	2.3672	2.3672	2.1955
C2	1.5471		2.3979	2.3711	2.3711	1.3649	1.3649	1.0932
F3	1.3445	2.3979		2.1919	2.1919	2.7816	2.7816	3.3341
F4	1.3520	2.3711	2.1919		2.1915	3.5387	2.7675	2.6619
F5	1.3520	2.3711	2.1919	2.1915		2.7675	3.5387	2.6619
F6	2.3672	1.3649	2.7816	3.5387	2.7675		2.2191	2.0162
F7	2.3672	1.3649	2.7816	2.7675	3.5387	2.2191		2.0162
H8	2.1955	1.0932	3.3341	2.6619	2.6619	2.0162	2.0162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.607	C1	C2	F7	108.607
C1	C2	H8	111.352	C2	C1	F3	111.859
C2	C1	F4	109.560	C2	C1	F5	109.560
F3	C1	F4	108.753	F3	C1	F5	108.753
F4	C1	F5	108.282	F6	C2	F7	108.770
F6	C2	H8	109.726	F7	C2	H8	109.726

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)