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	hartrees
Energy at 0K	-575.819621
Energy at 298.15K
HF Energy	-575.366328
Nuclear repulsion energy	359.502009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3147	22.31
2	A'	1467	1467	1.17
3	A'	1330	1330	165.00
4	A'	1210	1210	214.85
5	A'	1149	1149	145.16
6	A'	875	875	53.80
7	A'	726	726	34.89
8	A'	580	580	14.68
9	A'	523	523	8.38
10	A'	364	364	0.06
11	A'	245	245	4.39
12	A"	1405	1405	12.01
13	A"	1230	1230	390.98
14	A"	1157	1157	111.87
15	A"	585	585	0.68
16	A"	418	418	1.08
17	A"	212	212	2.93
18	A"	70	70	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.600	0.000
C2	-0.603	0.747	0.000
F3	1.443	-0.446	0.000
F4	-0.233	-1.299	1.086
F5	-0.233	-1.299	-1.086
F6	-0.233	1.439	-1.100
F7	-0.233	1.439	1.100
H8	-1.684	0.608	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5294	1.3321	1.3388	1.3388	2.3443	2.3443	2.1711
C2	1.5294		2.3686	2.3461	2.3461	1.3510	1.3510	1.0899
F3	1.3321	2.3686		2.1719	2.1719	2.7525	2.7525	3.2997
F4	1.3388	2.3461	2.1719		2.1723	3.5040	2.7385	2.6307
F5	1.3388	2.3461	2.1719	2.1723		2.7385	3.5040	2.6307
F6	2.3443	1.3510	2.7525	3.5040	2.7385		2.2000	2.0011
F7	2.3443	1.3510	2.7525	2.7385	3.5040	2.2000		2.0011
H8	2.1711	1.0899	3.2997	2.6307	2.6307	2.0011	2.0011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.798	C1	C2	F7	108.798
C1	C2	H8	110.854	C2	C1	F3	111.553
C2	C1	F4	109.584	C2	C1	F5	109.584
F3	C1	F4	108.811	F3	C1	F5	108.811
F4	C1	F5	108.436	F6	C2	F7	109.014
F6	C2	H8	109.672	F7	C2	H8	109.672

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)