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	hartrees
Energy at 0K	-178.784466
Energy at 298.15K	-178.790072
HF Energy	-178.149703
Nuclear repulsion energy	79.400869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3000	24.91
2	A'	3073	2936	32.46
3	A'	3063	2927	14.78
4	A'	1547	1478	0.52
5	A'	1519	1452	1.29
6	A'	1454	1389	25.78
7	A'	1418	1355	1.24
8	A'	1150	1098	43.38
9	A'	1107	1057	57.10
10	A'	908	868	13.02
11	A'	416	397	5.91
12	A"	3152	3012	37.82
13	A"	3115	2977	17.01
14	A"	1501	1434	4.38
15	A"	1325	1266	0.34
16	A"	1211	1157	4.83
17	A"	818	782	0.27
18	A"	257	246	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
C2	1.114	-0.463	0.000
F3	-1.223	-0.085	0.000
H4	0.061	1.189	0.885
H5	0.061	1.189	-0.885
H6	2.078	0.048	0.000
H7	1.059	-1.098	0.884
H8	1.059	-1.098	-0.884

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5073	1.3787	1.0920	1.0920	2.1380	2.1509	2.1509
C2	1.5073		2.3672	2.1499	2.1499	1.0907	1.0898	1.0898
F3	1.3787	2.3672		2.0133	2.0133	3.3031	2.6486	2.6486
H4	1.0920	2.1499	2.0133		1.7702	2.4805	2.4952	3.0588
H5	1.0920	2.1499	2.0133	1.7702		2.4805	3.0588	2.4952
H6	2.1380	1.0907	3.3031	2.4805	2.4805		1.7697	1.7697
H7	2.1509	1.0898	2.6486	2.4952	3.0588	1.7697		1.7685
H8	2.1509	1.0898	2.6486	3.0588	2.4952	1.7697	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.720	C1	C2	H7	110.796
C1	C2	H8	110.796	C2	C1	F3	110.136
C2	C1	H4	110.582	C2	C1	H5	110.582
F3	C1	H4	108.591	F3	C1	H5	108.591
H4	C1	H5	108.296	H6	C2	H7	108.503
H6	C2	H8	108.503	H7	C2	H8	108.456

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: QCISD/cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)