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	hartrees
Energy at 0K	-178.682393
Energy at 298.15K	-178.687993
HF Energy	-178.092904
Nuclear repulsion energy	79.418649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3008	19.22
2	A'	3093	2930	5.97
3	A'	3084	2922	39.64
4	A'	1562	1480	0.57
5	A'	1531	1451	1.29
6	A'	1468	1390	28.80
7	A'	1429	1354	1.14
8	A'	1162	1101	53.33
9	A'	1111	1053	36.25
10	A'	915	867	8.83
11	A'	409	387	5.15
12	A"	3185	3017	25.96
13	A"	3130	2965	28.47
14	A"	1514	1434	3.73
15	A"	1329	1259	0.24
16	A"	1221	1157	4.80
17	A"	817	774	0.39
18	A"	260	246	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
C2	1.111	-0.471	0.000
F3	-1.221	-0.078	0.000
H4	0.070	1.194	0.886
H5	0.070	1.194	-0.886
H6	2.081	0.032	0.000
H7	1.050	-1.107	0.886
H8	1.050	-1.107	-0.886

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5119	1.3751	1.0955	1.0955	2.1456	2.1558	2.1558
C2	1.5119		2.3652	2.1544	2.1544	1.0929	1.0921	1.0921
F3	1.3751	2.3652		2.0179	2.0179	3.3042	2.6462	2.6462
H4	1.0955	2.1544	2.0179		1.7729	2.4856	2.5009	3.0652
H5	1.0955	2.1544	2.0179	1.7729		2.4856	3.0652	2.5009
H6	2.1456	1.0929	3.3042	2.4856	2.4856		1.7735	1.7735
H7	2.1558	1.0921	2.6462	2.5009	3.0652	1.7735		1.7716
H8	2.1558	1.0921	2.6462	3.0652	2.5009	1.7735	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.875	C1	C2	H7	110.725
C1	C2	H8	110.725	C2	C1	F3	109.927
C2	C1	H4	110.413	C2	C1	H5	110.413
F3	C1	H4	109.003	F3	C1	H5	109.003
H4	C1	H5	108.036	H6	C2	H7	108.524
H6	C2	H8	108.524	H7	C2	H8	108.401

All results from a given calculation for C₂H₅F (fluoroethane)

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

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)