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	hartrees
Energy at 0K	-575.984903
Energy at 298.15K	-575.988313
HF Energy	-575.441448
Nuclear repulsion energy	359.648633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	3004	14.14
2	A'	1457	1398	0.77
3	A'	1319	1265	139.53
4	A'	1196	1148	193.97
5	A'	1145	1099	145.08
6	A'	873	838	47.64
7	A'	725	696	32.57
8	A'	578	555	13.90
9	A'	520	498	6.95
10	A'	362	348	0.05
11	A'	245	235	3.58
12	A"	1382	1326	5.44
13	A"	1210	1161	384.53
14	A"	1141	1095	104.87
15	A"	583	559	0.46
16	A"	415	398	0.83
17	A"	211	203	2.07
18	A"	74	71	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.602	0.000
C2	-0.603	0.749	0.000
F3	1.442	-0.451	0.000
F4	-0.233	-1.300	1.084
F5	-0.233	-1.300	-1.084
F6	-0.233	1.442	-1.097
F7	-0.233	1.442	1.097
H8	-1.682	0.610	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5322	1.3302	1.3371	1.3371	2.3468	2.3468	2.1719
C2	1.5322		2.3705	2.3471	2.3471	1.3494	1.3494	1.0879
F3	1.3302	2.3705		2.1688	2.1688	2.7556	2.7556	3.2989
F4	1.3371	2.3471	2.1688		2.1686	3.5039	2.7419	2.6308
F5	1.3371	2.3471	2.1688	2.1686		2.7419	3.5039	2.6308
F6	2.3468	1.3494	2.7556	3.5039	2.7419		2.1943	1.9983
F7	2.3468	1.3494	2.7556	2.7419	3.5039	2.1943		1.9983
H8	2.1719	1.0879	3.2989	2.6308	2.6308	1.9983	1.9983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.896	C1	C2	F7	108.896
C1	C2	H8	110.840	C2	C1	F3	111.627
C2	C1	F4	109.585	C2	C1	F5	109.585
F3	C1	F4	108.801	F3	C1	F5	108.801
F4	C1	F5	108.378	F6	C2	F7	108.800
F6	C2	H8	109.686	F7	C2	H8	109.686

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)