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	hartrees
Energy at 0K	-571.187700
Energy at 298.15K	-571.190974
HF Energy	-570.406280
Nuclear repulsion energy	353.404367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3055	21.57
2	A'	1486	1440	11.40
3	A'	1353	1312	127.81
4	A'	1255	1216	161.89
5	A'	1129	1094	63.76
6	A'	866	839	48.16
7	A'	692	671	34.11
8	A'	544	527	23.31
9	A'	499	484	15.59
10	A'	350	339	0.14
11	A'	230	223	6.24
12	A"	1452	1407	20.14
13	A"	1311	1270	235.22
14	A"	1198	1161	52.60
15	A"	571	554	2.65
16	A"	400	387	2.61
17	A"	193	187	4.27
18	A"	73	71	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.122	-0.595	0.000
C2	-0.616	0.734	0.000
F3	1.477	-0.423	0.000
F4	-0.240	-1.309	1.115
F5	-0.240	-1.309	-1.115
F6	-0.240	1.443	-1.136
F7	-0.240	1.443	1.136
H8	-1.692	0.562	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5199	1.3664	1.3719	1.3719	2.3608	2.3608	2.1508
C2	1.5199		2.3913	2.3570	2.3570	1.3906	1.3906	1.0897
F3	1.3664	2.3913		2.2304	2.2304	2.7782	2.7782	3.3182
F4	1.3719	2.3570	2.2304		2.2293	3.5544	2.7512	2.6168
F5	1.3719	2.3570	2.2304	2.2293		2.7512	3.5544	2.6168
F6	2.3608	1.3906	2.7782	3.5544	2.7512		2.2719	2.0430
F7	2.3608	1.3906	2.7782	2.7512	3.5544	2.2719		2.0430
H8	2.1508	1.0897	3.3182	2.6168	2.6168	2.0430	2.0430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.333	C1	C2	F7	108.333
C1	C2	H8	109.920	C2	C1	F3	111.780
C2	C1	F4	109.084	C2	C1	F5	109.084
F3	C1	F4	109.081	F3	C1	F5	109.081
F4	C1	F5	108.679	F6	C2	F7	109.547
F6	C2	H8	110.329	F7	C2	H8	110.329

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)