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	hartrees
Energy at 0K	-178.491942
Energy at 298.15K	-178.497594
HF Energy	-178.076826
Nuclear repulsion energy	79.355802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	2987	26.21
2	A'	3158	2923	30.55
3	A'	3147	2914	20.46
4	A'	1616	1496	0.18
5	A'	1583	1466	2.26
6	A'	1518	1406	33.63
7	A'	1480	1370	4.92
8	A'	1193	1104	40.44
9	A'	1140	1055	53.47
10	A'	945	875	13.91
11	A'	422	391	6.67
12	A"	3240	3000	40.10
13	A"	3202	2965	27.57
14	A"	1566	1450	4.49
15	A"	1359	1258	0.01
16	A"	1255	1162	5.47
17	A"	847	784	0.30
18	A"	275	254	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
C2	1.120	-0.451	0.000
F3	-1.221	-0.104	0.000
H4	0.032	1.196	0.886
H5	0.032	1.196	-0.886
H6	2.089	0.051	0.000
H7	1.056	-1.085	0.884
H8	1.056	-1.085	-0.884

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5099	1.3900	1.0909	1.0909	2.1502	2.1464	2.1464
C2	1.5099		2.3662	2.1643	2.1643	1.0913	1.0897	1.0897
F3	1.3900	2.3662		2.0111	2.0111	3.3130	2.6321	2.6321
H4	1.0909	2.1643	2.0111		1.7728	2.5155	2.5004	3.0640
H5	1.0909	2.1643	2.0111	1.7728		2.5155	3.0640	2.5004
H6	2.1502	1.0913	3.3130	2.5155	2.5155		1.7716	1.7716
H7	2.1464	1.0897	2.6321	2.5004	3.0640	1.7716		1.7688
H8	2.1464	1.0897	2.6321	3.0640	2.5004	1.7716	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.469	C1	C2	H7	110.264
C1	C2	H8	110.264	C2	C1	F3	109.298
C2	C1	H4	111.638	C2	C1	H5	111.638
F3	C1	H4	107.709	F3	C1	H5	107.709
H4	C1	H5	108.694	H6	C2	H7	108.641
H6	C2	H8	108.641	H7	C2	H8	108.506

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)