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	hartrees
Energy at 0K	-575.080520
Energy at 298.15K	-575.084008
HF Energy	-573.668389
Nuclear repulsion energy	360.492761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3020	22.57
2	A'	1504	1424	2.37
3	A'	1360	1288	167.50
4	A'	1239	1173	216.64
5	A'	1171	1109	138.48
6	A'	893	846	55.87
7	A'	738	699	34.53
8	A'	590	559	15.16
9	A'	531	503	8.88
10	A'	372	352	0.05
11	A'	251	238	4.54
12	A"	1431	1355	14.17
13	A"	1264	1197	391.80
14	A"	1190	1127	107.59
15	A"	596	564	0.81
16	A"	425	403	1.21
17	A"	217	206	2.98
18	A"	80	76	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.599	0.000
C2	-0.601	0.744	0.000
F3	1.439	-0.440	0.000
F4	-0.233	-1.294	1.085
F5	-0.233	-1.294	-1.085
F6	-0.233	1.432	-1.099
F7	-0.233	1.432	1.099
H8	-1.683	0.608	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5246	1.3291	1.3355	1.3355	2.3362	2.3362	2.1697
C2	1.5246		2.3591	2.3384	2.3384	1.3478	1.3478	1.0907
F3	1.3291	2.3591		2.1683	2.1683	2.7401	2.7401	3.2936
F4	1.3355	2.3384	2.1683		2.1690	3.4930	2.7265	2.6266
F5	1.3355	2.3384	2.1683	2.1690		2.7265	3.4930	2.6266
F6	2.3362	1.3478	2.7401	3.4930	2.7265		2.1980	1.9977
F7	2.3362	1.3478	2.7401	2.7265	3.4930	2.1980		1.9977
H8	2.1697	1.0907	3.2936	2.6266	2.6266	1.9977	1.9977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.691	C1	C2	F7	108.691
C1	C2	H8	111.036	C2	C1	F3	111.336
C2	C1	F4	109.507	C2	C1	F5	109.507
F3	C1	F4	108.926	F3	C1	F5	108.926
F4	C1	F5	108.591	F6	C2	F7	109.257
F6	C2	H8	109.567	F7	C2	H8	109.567

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)