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	hartrees
Energy at 0K	-575.613755
Energy at 298.15K
HF Energy	-575.233878
Nuclear repulsion energy	357.797586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3175	12.62
2	A'	1460	1460	0.48
3	A'	1321	1321	150.80
4	A'	1198	1198	206.35
5	A'	1138	1138	148.37
6	A'	869	869	53.35
7	A'	715	715	33.68
8	A'	568	568	15.64
9	A'	510	510	8.18
10	A'	358	358	0.05
11	A'	244	244	4.05
12	A"	1387	1387	9.26
13	A"	1214	1214	400.10
14	A"	1142	1142	113.50
15	A"	575	575	0.61
16	A"	410	410	1.06
17	A"	210	210	2.45
18	A"	76	76	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.601	0.000
C2	-0.608	0.748	0.000
F3	1.450	-0.446	0.000
F4	-0.234	-1.306	1.092
F5	-0.234	-1.306	-1.092
F6	-0.234	1.445	-1.105
F7	-0.234	1.445	1.105
H8	-1.690	0.617	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5336	1.3388	1.3466	1.3466	2.3525	2.3525	2.1819
C2	1.5336		2.3795	2.3561	2.3561	1.3591	1.3591	1.0898
F3	1.3388	2.3795		2.1833	2.1833	2.7626	2.7626	3.3149
F4	1.3466	2.3561	2.1833		2.1832	3.5205	2.7509	2.6473
F5	1.3466	2.3561	2.1833	2.1832		2.7509	3.5205	2.6473
F6	2.3525	1.3591	2.7626	3.5205	2.7509		2.2106	2.0071
F7	2.3525	1.3591	2.7626	2.7509	3.5205	2.2106		2.0071
H8	2.1819	1.0898	3.3149	2.6473	2.6473	2.0071	2.0071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.679	C1	C2	F7	108.679
C1	C2	H8	111.421	C2	C1	F3	111.685
C2	C1	F4	109.605	C2	C1	F5	109.605
F3	C1	F4	108.781	F3	C1	F5	108.781
F4	C1	F5	108.315	F6	C2	F7	108.828
F6	C2	H8	109.593	F7	C2	H8	109.593

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)