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	hartrees
Energy at 0K	-178.601729
Energy at 298.15K	-178.607325
HF Energy	-178.089008
Nuclear repulsion energy	78.796197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3028	25.16
2	A'	3072	2947	16.33
3	A'	3065	2940	41.30
4	A'	1526	1464	0.18
5	A'	1501	1440	1.75
6	A'	1447	1388	33.25
7	A'	1401	1344	1.20
8	A'	1138	1092	42.55
9	A'	1107	1062	48.44
10	A'	905	868	15.41
11	A'	409	392	5.85
12	A"	3165	3036	35.36
13	A"	3117	2990	33.61
14	A"	1480	1420	3.94
15	A"	1307	1254	0.31
16	A"	1199	1150	5.34
17	A"	812	779	0.14
18	A"	265	254	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.560	0.000
C2	1.125	-0.462	0.000
F3	-1.229	-0.094	0.000
H4	0.044	1.205	0.898
H5	0.044	1.205	-0.898
H6	2.104	0.050	0.000
H7	1.062	-1.103	0.896
H8	1.062	-1.103	-0.896

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5197	1.3923	1.1060	1.1060	2.1652	2.1673	2.1673
C2	1.5197		2.3827	2.1800	2.1800	1.1050	1.1039	1.1039
F3	1.3923	2.3827		2.0279	2.0279	3.3366	2.6590	2.6590
H4	1.1060	2.1800	2.0279		1.7952	2.5270	2.5228	3.0954
H5	1.1060	2.1800	2.0279	1.7952		2.5270	3.0954	2.5228
H6	2.1652	1.1050	3.3366	2.5270	2.5270		1.7945	1.7945
H7	2.1673	1.1039	2.6590	2.5228	3.0954	1.7945		1.7920
H8	2.1673	1.1039	2.6590	3.0954	2.5228	1.7945	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.164	C1	C2	H7	110.393
C1	C2	H8	110.393	C2	C1	F3	109.739
C2	C1	H4	111.270	C2	C1	H5	111.270
F3	C1	H4	107.975	F3	C1	H5	107.975
H4	C1	H5	108.495	H6	C2	H7	108.660
H6	C2	H8	108.660	H7	C2	H8	108.519

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)