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	hartrees
Energy at 0K	-574.671229
Energy at 298.15K	-574.674680
HF Energy	-573.536399
Nuclear repulsion energy	358.580186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3027	12.65
2	A'	1505	1418	1.08
3	A'	1362	1284	168.88
4	A'	1247	1175	196.08
5	A'	1168	1101	135.24
6	A'	890	838	52.39
7	A'	729	687	36.18
8	A'	579	545	17.46
9	A'	520	490	10.08
10	A'	366	345	0.07
11	A'	249	234	4.44
12	A"	1419	1338	14.27
13	A"	1276	1202	371.31
14	A"	1197	1128	116.33
15	A"	588	554	1.08
16	A"	419	395	1.40
17	A"	214	202	2.60
18	A"	83	79	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.600	0.000
C2	-0.609	0.746	0.000
F3	1.446	-0.439	0.000
F4	-0.233	-1.303	1.090
F5	-0.233	-1.303	-1.090
F6	-0.233	1.440	-1.104
F7	-0.233	1.440	1.104
H8	-1.689	0.612	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5305	1.3367	1.3437	1.3437	2.3462	2.3462	2.1771
C2	1.5305		2.3719	2.3510	2.3510	1.3572	1.3572	1.0884
F3	1.3367	2.3719		2.1802	2.1802	2.7506	2.7506	3.3065
F4	1.3437	2.3510	2.1802		2.1801	3.5122	2.7426	2.6413
F5	1.3437	2.3510	2.1802	2.1801		2.7426	3.5122	2.6413
F6	2.3462	1.3572	2.7506	3.5122	2.7426		2.2082	2.0061
F7	2.3462	1.3572	2.7506	2.7426	3.5122	2.2082		2.0061
H8	2.1771	1.0884	3.3065	2.6413	2.6413	2.0061	2.0061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.531	C1	C2	F7	108.531
C1	C2	H8	111.350	C2	C1	F3	111.458
C2	C1	F4	109.592	C2	C1	F5	109.592
F3	C1	F4	108.855	F3	C1	F5	108.855
F4	C1	F5	108.430	F6	C2	F7	108.889
F6	C2	H8	109.745	F7	C2	H8	109.745

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

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

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)