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	hartrees
Energy at 0K	-178.561532
Energy at 298.15K	-178.567176
HF Energy	-178.084918
Nuclear repulsion energy	79.310820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3030	19.38
2	A'	3145	2938	6.14
3	A'	3140	2934	45.13
4	A'	1593	1489	0.20
5	A'	1564	1462	1.94
6	A'	1490	1393	33.36
7	A'	1452	1357	3.34
8	A'	1170	1093	27.91
9	A'	1122	1049	54.43
10	A'	929	868	12.73
11	A'	414	387	6.06
12	A"	3257	3043	26.22
13	A"	3201	2991	34.61
14	A"	1548	1446	3.79
15	A"	1341	1253	0.00
16	A"	1234	1153	4.92
17	A"	835	780	0.24
18	A"	282	263	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
C2	1.123	-0.445	0.000
F3	-1.224	-0.111	0.000
H4	0.034	1.196	0.885
H5	0.034	1.196	-0.885
H6	2.085	0.063	0.000
H7	1.062	-1.075	0.882
H8	1.062	-1.075	-0.882

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5073	1.3960	1.0896	1.0896	2.1439	2.1410	2.1410
C2	1.5073		2.3701	2.1589	2.1589	1.0882	1.0864	1.0864
F3	1.3960	2.3701		2.0177	2.0177	3.3136	2.6331	2.6331
H4	1.0896	2.1589	2.0177		1.7697	2.5052	2.4932	3.0561
H5	1.0896	2.1589	2.0177	1.7697		2.5052	3.0561	2.4932
H6	2.1439	1.0882	3.3136	2.5052	2.5052		1.7668	1.7668
H7	2.1410	1.0864	2.6331	2.4932	3.0561	1.7668		1.7650
H8	2.1410	1.0864	2.6331	3.0561	2.4932	1.7668	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.344	C1	C2	H7	110.219
C1	C2	H8	110.219	C2	C1	F3	109.383
C2	C1	H4	111.458	C2	C1	H5	111.458
F3	C1	H4	107.904	F3	C1	H5	107.904
H4	C1	H5	108.604	H6	C2	H7	108.682
H6	C2	H8	108.682	H7	C2	H8	108.648

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)