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	hartrees
Energy at 0K	-575.613741
Energy at 298.15K	-575.617086
HF Energy	-575.233861
Nuclear repulsion energy	357.792826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3020	12.61
2	A'	1460	1389	0.47
3	A'	1321	1257	150.72
4	A'	1198	1139	206.14
5	A'	1138	1082	148.62
6	A'	869	826	53.32
7	A'	715	680	33.74
8	A'	568	540	15.63
9	A'	510	485	8.20
10	A'	358	341	0.05
11	A'	244	232	4.06
12	A"	1387	1319	9.23
13	A"	1214	1154	400.08
14	A"	1142	1086	113.56
15	A"	574	546	0.61
16	A"	409	389	1.06
17	A"	210	199	2.45
18	A"	74	70	1.00

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	-1.305	1.092
F5	-0.234	-1.305	-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	1.3467	1.3467	2.3525	2.3525	2.1817
C2	1.5336		2.3797	2.3559	2.3559	1.3592	1.3592	1.0898
F3	1.3388	2.3797		2.1833	2.1833	2.7630	2.7630	3.3150
F4	1.3467	2.3559	2.1833		2.1834	3.5204	2.7506	2.6469
F5	1.3467	2.3559	2.1833	2.1834		2.7506	3.5204	2.6469
F6	2.3525	1.3592	2.7630	3.5204	2.7506		2.2108	2.0071
F7	2.3525	1.3592	2.7630	2.7506	3.5204	2.2108		2.0071
H8	2.1817	1.0898	3.3150	2.6469	2.6469	2.0071	2.0071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.680	C1	C2	F7	108.680
C1	C2	H8	111.414	C2	C1	F3	111.708
C2	C1	F4	109.589	C2	C1	F5	109.589
F3	C1	F4	108.782	F3	C1	F5	108.782
F4	C1	F5	108.320	F6	C2	F7	108.837
F6	C2	H8	109.591	F7	C2	H8	109.591

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

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

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)