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	hartrees
Energy at 0K	-178.685603
Energy at 298.15K	-178.691217
HF Energy	-178.128954
Nuclear repulsion energy	78.984375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3126	3126
2	A'	3056	3056
3	A'	3046	3046
4	A'	1538	1538
5	A'	1510	1510
6	A'	1456	1456
7	A'	1413	1413
8	A'	1141	1141
9	A'	1094	1094
10	A'	902	902
11	A'	413	413
12	A"	3139	3139
13	A"	3102	3102
14	A"	1492	1492
15	A"	1318	1318
16	A"	1208	1208
17	A"	817	817
18	A"	273	273

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.562	0.000
C2	1.125	-0.459	0.000
F3	-1.227	-0.097	0.000
H4	0.038	1.197	0.894
H5	0.038	1.197	-0.894
H6	2.096	0.053	0.000
H7	1.062	-1.094	0.891
H8	1.062	-1.094	-0.891

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5191	1.3932	1.0972	1.0972	2.1570	2.1594	2.1594
C2	1.5191		2.3800	2.1734	2.1734	1.0977	1.0958	1.0958
F3	1.3932	2.3800		2.0187	2.0187	3.3268	2.6509	2.6509
H4	1.0972	2.1734	2.0187		1.7873	2.5189	2.5099	3.0795
H5	1.0972	2.1734	2.0187	1.7873		2.5189	3.0795	2.5099
H6	2.1570	1.0977	3.3268	2.5189	2.5189		1.7829	1.7829
H7	2.1594	1.0958	2.6509	2.5099	3.0795	1.7829		1.7813
H8	2.1594	1.0958	2.6509	3.0795	2.5099	1.7829	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.988	C1	C2	H7	110.294
C1	C2	H8	110.294	C2	C1	F3	109.541
C2	C1	H4	111.328	C2	C1	H5	111.328
F3	C1	H4	107.718	F3	C1	H5	107.718
H4	C1	H5	109.074	H6	C2	H7	108.742
H6	C2	H8	108.742	H7	C2	H8	108.739

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: QCISD(T)/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: QCISD(T)/6-311G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)