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	hartrees
Energy at 0K	-574.662875
Energy at 298.15K	-574.666336
HF Energy	-573.536828
Nuclear repulsion energy	358.956984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3004	12.32
2	A'	1508	1404	1.19
3	A'	1367	1272	171.97
4	A'	1252	1165	195.38
5	A'	1174	1092	134.37
6	A'	893	831	51.68
7	A'	732	681	36.85
8	A'	581	540	17.80
9	A'	522	486	10.26
10	A'	367	341	0.07
11	A'	249	231	4.46
12	A"	1424	1325	14.35
13	A"	1283	1193	371.64
14	A"	1204	1120	114.89
15	A"	590	549	1.11
16	A"	420	391	1.44
17	A"	214	199	2.60
18	A"	84	78	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.600	0.000
C2	-0.609	0.746	0.000
F3	1.444	-0.438	0.000
F4	-0.232	-1.302	1.089
F5	-0.232	-1.302	-1.089
F6	-0.232	1.438	-1.103
F7	-0.232	1.438	1.103
H8	-1.688	0.611	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5298	1.3352	1.3421	1.3421	2.3440	2.3440	2.1752
C2	1.5298		2.3698	2.3492	2.3492	1.3555	1.3555	1.0874
F3	1.3352	2.3698		2.1777	2.1777	2.7474	2.7474	3.3032
F4	1.3421	2.3492	2.1777		2.1777	3.5086	2.7400	2.6389
F5	1.3421	2.3492	2.1777	2.1777		2.7400	3.5086	2.6389
F6	2.3440	1.3555	2.7474	3.5086	2.7400		2.2055	2.0044
F7	2.3440	1.3555	2.7474	2.7400	3.5086	2.2055		2.0044
H8	2.1752	1.0874	3.3032	2.6389	2.6389	2.0044	2.0044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.512	C1	C2	F7	108.512
C1	C2	H8	111.306	C2	C1	F3	111.432
C2	C1	F4	109.598	C2	C1	F5	109.598
F3	C1	F4	108.855	F3	C1	F5	108.855
F4	C1	F5	108.444	F6	C2	F7	108.889
F6	C2	H8	109.786	F7	C2	H8	109.786

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)