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	hartrees
Energy at 0K	-575.816123
Energy at 298.15K
HF Energy	-575.364693
Nuclear repulsion energy	359.523667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3159	25.02
2	A'	1474	1474	0.62
3	A'	1333	1333	162.83
4	A'	1211	1211	213.92
5	A'	1151	1151	149.24
6	A'	877	877	55.28
7	A'	727	727	34.58
8	A'	581	581	14.75
9	A'	523	523	8.30
10	A'	364	364	0.05
11	A'	246	246	4.38
12	A"	1416	1416	12.69
13	A"	1231	1231	391.73
14	A"	1158	1158	113.18
15	A"	585	585	0.67
16	A"	418	418	1.09
17	A"	213	213	2.95
18	A"	71	71	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.600	0.000
C2	-0.602	0.748	0.000
F3	1.443	-0.447	0.000
F4	-0.234	-1.299	1.086
F5	-0.234	-1.299	-1.086
F6	-0.234	1.439	-1.100
F7	-0.234	1.439	1.100
H8	-1.684	0.613	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5292	1.3321	1.3389	1.3389	2.3440	2.3440	2.1738
C2	1.5292		2.3683	2.3459	2.3459	1.3507	1.3507	1.0898
F3	1.3321	2.3683		2.1719	2.1719	2.7525	2.7525	3.3014
F4	1.3389	2.3459	2.1719		2.1724	3.5037	2.7379	2.6340
F5	1.3389	2.3459	2.1719	2.1724		2.7379	3.5037	2.6340
F6	2.3440	1.3507	2.7525	3.5037	2.7379		2.2003	1.9989
F7	2.3440	1.3507	2.7525	2.7379	3.5037	2.2003		1.9989
H8	2.1738	1.0898	3.3014	2.6340	2.6340	1.9989	1.9989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.804	C1	C2	F7	108.804
C1	C2	H8	111.088	C2	C1	F3	111.547
C2	C1	F4	109.584	C2	C1	F5	109.584
F3	C1	F4	108.812	F3	C1	F5	108.812
F4	C1	F5	108.441	F6	C2	F7	109.075
F6	C2	H8	109.518	F7	C2	H8	109.518

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)