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	hartrees
Energy at 0K	-178.698473
Energy at 298.15K	-178.704057
Nuclear repulsion energy	79.265103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3172	3172
2	A'	3084	3084
3	A'	3072	3072
4	A'	1551	1551
5	A'	1522	1522
6	A'	1452	1452
7	A'	1416	1416
8	A'	1145	1145
9	A'	1099	1099
10	A'	905	905
11	A'	403	403
12	A"	3182	3182
13	A"	3121	3121
14	A"	1506	1506
15	A"	1317	1317
16	A"	1210	1210
17	A"	811	811
18	A"	261	261

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.560	0.000
C2	1.118	-0.465	0.000
F3	-1.222	-0.089	0.000
H4	0.047	1.199	0.889
H5	0.047	1.199	-0.889
H6	2.091	0.035	0.000
H7	1.052	-1.099	0.887
H8	1.052	-1.099	-0.887

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5173	1.3839	1.0957	1.0957	2.1555	2.1558	2.1558
C2	1.5173		2.3702	2.1698	2.1698	1.0938	1.0925	1.0925
F3	1.3839	2.3702		2.0149	2.0149	3.3150	2.6417	2.6417
H4	1.0957	2.1698	2.0149		1.7783	2.5143	2.5082	3.0736
H5	1.0957	2.1698	2.0149	1.7783		2.5143	3.0736	2.5082
H6	2.1555	1.0938	3.3150	2.5143	2.5143		1.7756	1.7756
H7	2.1558	1.0925	2.6417	2.5082	3.0736	1.7756		1.7749
H8	2.1558	1.0925	2.6417	3.0736	2.5082	1.7756	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.230	C1	C2	H7	110.332
C1	C2	H8	110.332	C2	C1	F3	109.478
C2	C1	H4	111.257	C2	C1	H5	111.257
F3	C1	H4	108.133	F3	C1	H5	108.133
H4	C1	H5	108.480	H6	C2	H7	108.621
H6	C2	H8	108.621	H7	C2	H8	108.653

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP4/6-31G(2df,p)

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: MP4/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)