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	hartrees
Energy at 0K	-571.174978
Energy at 298.15K	-571.178277
HF Energy	-570.407238
Nuclear repulsion energy	354.148531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3027	20.72
2	A'	1496	1431	11.88
3	A'	1368	1309	132.24
4	A'	1269	1214	162.11
5	A'	1142	1093	64.69
6	A'	874	836	47.69
7	A'	699	669	35.93
8	A'	549	526	23.87
9	A'	504	482	16.27
10	A'	353	337	0.16
11	A'	232	222	6.38
12	A"	1461	1397	20.27
13	A"	1329	1271	234.87
14	A"	1216	1163	52.64
15	A"	577	552	2.83
16	A"	404	386	2.74
17	A"	195	186	4.31
18	A"	74	71	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.595	0.000
C2	-0.614	0.734	0.000
F3	1.474	-0.424	0.000
F4	-0.239	-1.306	1.112
F5	-0.239	-1.306	-1.112
F6	-0.239	1.441	-1.133
F7	-0.239	1.441	1.133
H8	-1.689	0.561	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5187	1.3629	1.3682	1.3682	2.3573	2.3573	2.1481
C2	1.5187		2.3870	2.3532	2.3532	1.3869	1.3869	1.0891
F3	1.3629	2.3870		2.2247	2.2247	2.7737	2.7737	3.3126
F4	1.3682	2.3532	2.2247		2.2234	3.5473	2.7468	2.6122
F5	1.3682	2.3532	2.2247	2.2234		2.7468	3.5473	2.6122
F6	2.3573	1.3869	2.7737	3.5473	2.7468		2.2661	2.0396
F7	2.3573	1.3869	2.7737	2.7468	3.5473	2.2661		2.0396
H8	2.1481	1.0891	3.3126	2.6122	2.6122	2.0396	2.0396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.361	C1	C2	F7	108.361
C1	C2	H8	109.826	C2	C1	F3	111.748
C2	C1	F4	109.091	C2	C1	F5	109.091
F3	C1	F4	109.086	F3	C1	F5	109.086
F4	C1	F5	108.686	F6	C2	F7	109.557
F6	C2	H8	110.343	F7	C2	H8	110.343

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)