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	hartrees
Energy at 0K	-178.355606
Energy at 298.15K	-178.361168
HF Energy	-178.019346
Nuclear repulsion energy	77.371949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3099	2986	29.38
2	A'	3048	2937	27.93
3	A'	3024	2914	14.50
4	A'	1573	1516	0.17
5	A'	1551	1494	4.68
6	A'	1477	1424	10.95
7	A'	1437	1384	16.18
8	A'	1146	1104	10.50
9	A'	1053	1015	37.67
10	A'	879	847	21.05
11	A'	392	378	8.40
12	A"	3118	3005	54.43
13	A"	3092	2979	9.18
14	A"	1537	1481	4.91
15	A"	1312	1264	0.68
16	A"	1193	1149	4.06
17	A"	839	808	0.53
18	A"	259	249	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.584	0.000
C2	1.161	-0.411	0.000
F3	-1.256	-0.166	0.000
H4	-0.009	1.218	0.899
H5	-0.009	1.218	-0.899
H6	2.125	0.125	0.000
H7	1.115	-1.052	0.893
H8	1.115	-1.052	-0.893

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5290	1.4623	1.1000	1.1000	2.1734	2.1720	2.1720
C2	1.5290		2.4293	2.1980	2.1980	1.1027	1.1007	1.1007
F3	1.4623	2.4293		2.0676	2.0676	3.3928	2.6839	2.6839
H4	1.1000	2.1980	2.0676		1.7978	2.5603	2.5331	3.1031
H5	1.1000	2.1980	2.0676	1.7978		2.5603	3.1031	2.5331
H6	2.1734	1.1027	3.3928	2.5603	2.5603		1.7902	1.7902
H7	2.1720	1.1007	2.6839	2.5331	3.1031	1.7902		1.7870
H8	2.1720	1.1007	2.6839	3.1031	2.5331	1.7902	1.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.299	C1	C2	H7	110.305
C1	C2	H8	110.305	C2	C1	F3	108.582
C2	C1	H4	112.427	C2	C1	H5	112.427
F3	C1	H4	106.736	F3	C1	H5	106.736
H4	C1	H5	109.606	H6	C2	H7	108.673
H6	C2	H8	108.673	H7	C2	H8	108.535

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: QCISD/6-31G

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 C2H5F (fluoroethane)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)