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	hartrees
Energy at 0K	-575.088459
Energy at 298.15K	-575.091959
HF Energy	-573.670355
Nuclear repulsion energy	360.498251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3024	22.81
2	A'	1499	1422	2.82
3	A'	1357	1287	170.11
4	A'	1239	1175	216.69
5	A'	1171	1110	137.06
6	A'	891	846	53.50
7	A'	737	699	34.65
8	A'	590	559	14.94
9	A'	531	504	8.96
10	A'	372	353	0.05
11	A'	250	237	4.53
12	A"	1427	1353	15.57
13	A"	1265	1200	391.90
14	A"	1193	1131	104.19
15	A"	596	565	0.84
16	A"	425	403	1.19
17	A"	217	206	2.97
18	A"	79	75	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.600	0.000
C2	-0.601	0.745	0.000
F3	1.439	-0.440	0.000
F4	-0.233	-1.294	1.084
F5	-0.233	-1.294	-1.084
F6	-0.233	1.433	-1.099
F7	-0.233	1.433	1.099
H8	-1.682	0.602	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5250	1.3291	1.3354	1.3354	2.3369	2.3369	2.1655
C2	1.5250		2.3589	2.3385	2.3385	1.3476	1.3476	1.0901
F3	1.3291	2.3589		2.1683	2.1683	2.7404	2.7404	3.2902
F4	1.3354	2.3385	2.1683		2.1689	3.4933	2.7271	2.6216
F5	1.3354	2.3385	2.1683	2.1689		2.7271	3.4933	2.6216
F6	2.3369	1.3476	2.7404	3.4933	2.7271		2.1974	1.9987
F7	2.3369	1.3476	2.7404	2.7271	3.4933	2.1974		1.9987
H8	2.1655	1.0901	3.2902	2.6216	2.6216	1.9987	1.9987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.728	C1	C2	F7	108.728
C1	C2	H8	110.700	C2	C1	F3	111.300
C2	C1	F4	109.503	C2	C1	F5	109.503
F3	C1	F4	108.941	F3	C1	F5	108.941
F4	C1	F5	108.607	F6	C2	F7	109.239
F6	C2	H8	109.708	F7	C2	H8	109.708

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2=FULL/6-311G**

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=FULL/6-311G**

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)