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	hartrees
Energy at 0K	-178.616687
Energy at 298.15K	-178.622336
Nuclear repulsion energy	79.850540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3243	20.42
2	A'	3160	3160	8.68
3	A'	3156	3156	37.79
4	A'	1599	1599	0.71
5	A'	1567	1567	1.35
6	A'	1508	1508	31.11
7	A'	1466	1466	1.12
8	A'	1198	1198	66.03
9	A'	1141	1141	33.24
10	A'	940	940	8.99
11	A'	420	420	5.44
12	A"	3252	3252	29.19
13	A"	3203	3203	27.11
14	A"	1548	1548	3.92
15	A"	1364	1364	0.38
16	A"	1252	1252	5.31
17	A"	837	837	0.40
18	A"	267	267	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
C2	1.109	-0.470	0.000
F3	-1.213	-0.079	0.000
H4	0.051	1.189	0.882
H5	0.051	1.189	-0.882
H6	2.077	0.025	0.000
H7	1.043	-1.101	0.881
H8	1.043	-1.101	-0.881

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5098	1.3687	1.0882	1.0882	2.1440	2.1456	2.1456
C2	1.5098		2.3553	2.1568	2.1568	1.0871	1.0860	1.0860
F3	1.3687	2.3553		1.9963	1.9963	3.2924	2.6288	2.6288
H4	1.0882	2.1568	1.9963		1.7647	2.4985	2.4956	3.0559
H5	1.0882	2.1568	1.9963	1.7647		2.4985	3.0559	2.4956
H6	2.1440	1.0871	3.2924	2.4985	2.4985		1.7647	1.7647
H7	2.1456	1.0860	2.6288	2.4956	3.0559	1.7647		1.7630
H8	2.1456	1.0860	2.6288	3.0559	2.4956	1.7647	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.230	C1	C2	H7	110.424
C1	C2	H8	110.424	C2	C1	F3	109.717
C2	C1	H4	111.192	C2	C1	H5	111.192
F3	C1	H4	108.143	F3	C1	H5	108.143
H4	C1	H5	108.350	H6	C2	H7	108.594
H6	C2	H8	108.594	H7	C2	H8	108.519

All results from a given calculation for C₂H₅F (fluoroethane)

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

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)