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	hartrees
Energy at 0K	-574.887884
Energy at 298.15K	-574.891250
HF Energy	-573.585159
Nuclear repulsion energy	357.204528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3082	11.48
2	A'	1466	1421	3.48
3	A'	1315	1275	130.15
4	A'	1186	1149	203.02
5	A'	1127	1092	127.10
6	A'	865	838	53.51
7	A'	709	687	29.66
8	A'	564	547	14.14
9	A'	505	490	7.17
10	A'	359	348	0.04
11	A'	242	235	3.80
12	A"	1365	1323	5.89
13	A"	1203	1166	391.28
14	A"	1131	1096	88.05
15	A"	572	555	0.50
16	A"	408	395	0.90
17	A"	209	203	2.11
18	A"	82	79	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.118	-0.600	0.000
C2	-0.612	0.746	0.000
F3	1.451	-0.436	0.000
F4	-0.233	-1.308	1.095
F5	-0.233	-1.308	-1.095
F6	-0.233	1.444	-1.109
F7	-0.233	1.444	1.109
H8	-1.702	0.613	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5312	1.3428	1.3503	1.3503	2.3520	2.3520	2.1873
C2	1.5312		2.3772	2.3580	2.3580	1.3639	1.3639	1.0980
F3	1.3428	2.3772		2.1899	2.1899	2.7567	2.7567	3.3225
F4	1.3503	2.3580	2.1899		2.1899	3.5256	2.7519	2.6544
F5	1.3503	2.3580	2.1899	2.1899		2.7519	3.5256	2.6544
F6	2.3520	1.3639	2.7567	3.5256	2.7519		2.2176	2.0190
F7	2.3520	1.3639	2.7567	2.7519	3.5256	2.2176		2.0190
H8	2.1873	1.0980	3.3225	2.6544	2.6544	2.0190	2.0190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.522	C1	C2	F7	108.522
C1	C2	H8	111.531	C2	C1	F3	111.440
C2	C1	F4	109.674	C2	C1	F5	109.674
F3	C1	F4	108.810	F3	C1	F5	108.810
F4	C1	F5	108.372	F6	C2	F7	108.773
F6	C2	H8	109.718	F7	C2	H8	109.718

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)