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	hartrees
Energy at 0K	-575.397207
Energy at 298.15K	-575.400729
HF Energy	-573.740603
Nuclear repulsion energy	361.802091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3018	17.27
2	A'	1498	1422	2.47
3	A'	1358	1289	153.58
4	A'	1239	1177	196.56
5	A'	1176	1117	127.39
6	A'	895	849	45.81
7	A'	741	704	32.40
8	A'	592	562	13.87
9	A'	533	506	7.72
10	A'	372	354	0.04
11	A'	250	237	3.88
12	A"	1416	1344	9.91
13	A"	1263	1199	382.93
14	A"	1192	1132	89.82
15	A"	598	568	0.69
16	A"	425	404	0.95
17	A"	216	205	2.34
18	A"	85	81	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.598	0.000
C2	-0.599	0.742	0.000
F3	1.434	-0.437	0.000
F4	-0.232	-1.290	1.080
F5	-0.232	-1.290	-1.080
F6	-0.232	1.428	-1.094
F7	-0.232	1.428	1.094
H8	-1.672	0.598	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5200	1.3243	1.3305	1.3305	2.3293	2.3293	2.1538
C2	1.5200		2.3500	2.3305	2.3305	1.3427	1.3427	1.0827
F3	1.3243	2.3500		2.1611	2.1611	2.7300	2.7300	3.2739
F4	1.3305	2.3305	2.1611		2.1609	3.4812	2.7186	2.6088
F5	1.3305	2.3305	2.1611	2.1609		2.7186	3.4812	2.6088
F6	2.3293	1.3427	2.7300	3.4812	2.7186		2.1879	1.9901
F7	2.3293	1.3427	2.7300	2.7186	3.4812	2.1879		1.9901
H8	2.1538	1.0827	3.2739	2.6088	2.6088	1.9901	1.9901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.753	C1	C2	F7	108.753
C1	C2	H8	110.562	C2	C1	F3	111.241
C2	C1	F4	109.499	C2	C1	F5	109.499
F3	C1	F4	108.982	F3	C1	F5	108.982
F4	C1	F5	108.591	F6	C2	F7	109.125
F6	C2	H8	109.808	F7	C2	H8	109.808

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)