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	hartrees
Energy at 0K	-178.657326
Energy at 298.15K	-178.662961
HF Energy	-178.121301
Nuclear repulsion energy	79.282552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3017	21.69
2	A'	3108	2943	40.42
3	A'	3094	2930	11.93
4	A'	1572	1489	0.95
5	A'	1542	1460	2.85
6	A'	1473	1395	34.76
7	A'	1439	1362	4.26
8	A'	1160	1098	29.36
9	A'	1110	1051	66.18
10	A'	915	867	14.29
11	A'	419	397	6.59
12	A"	3199	3030	37.04
13	A"	3164	2997	21.24
14	A"	1524	1444	7.54
15	A"	1338	1267	0.09
16	A"	1225	1160	5.88
17	A"	829	785	0.55
18	A"	277	262	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.559	0.000
C2	1.123	-0.450	0.000
F3	-1.223	-0.104	0.000
H4	0.029	1.193	0.890
H5	0.029	1.193	-0.890
H6	2.091	0.057	0.000
H7	1.062	-1.084	0.885
H8	1.062	-1.084	-0.885

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5095	1.3913	1.0925	1.0925	2.1505	2.1475	2.1475
C2	1.5095		2.3712	2.1644	2.1644	1.0927	1.0908	1.0908
F3	1.3913	2.3712		2.0101	2.0101	3.3180	2.6392	2.6392
H4	1.0925	2.1644	2.0101		1.7796	2.5165	2.4999	3.0660
H5	1.0925	2.1644	2.0101	1.7796		2.5165	3.0660	2.4999
H6	2.1505	1.0927	3.3180	2.5165	2.5165		1.7732	1.7732
H7	2.1475	1.0908	2.6392	2.4999	3.0660	1.7732		1.7705
H8	2.1475	1.0908	2.6392	3.0660	2.4999	1.7732	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.442	C1	C2	H7	110.314
C1	C2	H8	110.314	C2	C1	F3	109.590
C2	C1	H4	111.566	C2	C1	H5	111.566
F3	C1	H4	107.443	F3	C1	H5	107.443
H4	C1	H5	109.062	H6	C2	H7	108.604
H6	C2	H8	108.604	H7	C2	H8	108.505

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2=FULL/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 C2H5F (fluoroethane)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)