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	hartrees
Energy at 0K	-574.747604
Energy at 298.15K	-574.751107
HF Energy	-573.542671
Nuclear repulsion energy	360.490121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	2987	26.89
2	A'	1514	1424	6.27
3	A'	1378	1295	206.51
4	A'	1266	1191	199.66
5	A'	1185	1115	131.39
6	A'	897	843	48.87
7	A'	743	698	37.58
8	A'	594	559	16.40
9	A'	536	504	10.65
10	A'	372	350	0.06
11	A'	246	231	4.64
12	A"	1421	1336	25.23
13	A"	1313	1234	382.58
14	A"	1228	1154	104.07
15	A"	601	565	1.35
16	A"	426	400	1.40
17	A"	212	199	3.06
18	A"	75	71	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.601	0.000
C2	-0.602	0.747	0.000
F3	1.438	-0.442	0.000
F4	-0.232	-1.296	1.083
F5	-0.232	-1.296	-1.083
F6	-0.232	1.435	-1.097
F7	-0.232	1.435	1.097
H8	-1.691	0.600	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5287	1.3285	1.3339	1.3339	2.3388	2.3388	2.1727
C2	1.5287		2.3614	2.3417	2.3417	1.3462	1.3462	1.0997
F3	1.3285	2.3614		2.1660	2.1660	2.7415	2.7415	3.2986
F4	1.3339	2.3417	2.1660		2.1657	3.4939	2.7307	2.6261
F5	1.3339	2.3417	2.1660	2.1657		2.7307	3.4939	2.6261
F6	2.3388	1.3462	2.7415	3.4939	2.7307		2.1936	2.0074
F7	2.3388	1.3462	2.7415	2.7307	3.4939	2.1936		2.0074
H8	2.1727	1.0997	3.2986	2.6261	2.6261	2.0074	2.0074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.716	C1	C2	F7	108.716
C1	C2	H8	110.438	C2	C1	F3	111.280
C2	C1	F4	109.590	C2	C1	F5	109.590
F3	C1	F4	108.891	F3	C1	F5	108.891
F4	C1	F5	108.549	F6	C2	F7	109.126
F6	C2	H8	109.906	F7	C2	H8	109.906

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)