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	hartrees
Energy at 0K	-178.783200
Energy at 298.15K	-178.788809
HF Energy	-178.149750
Nuclear repulsion energy	79.438640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	2958	24.50
2	A'	3076	2895	32.15
3	A'	3066	2886	14.45
4	A'	1548	1457	0.57
5	A'	1520	1431	1.29
6	A'	1456	1370	26.09
7	A'	1419	1335	1.30
8	A'	1153	1086	49.21
9	A'	1110	1045	52.64
10	A'	911	857	12.32
11	A'	417	392	5.94
12	A"	3155	2970	37.20
13	A"	3118	2935	16.98
14	A"	1502	1414	4.40
15	A"	1327	1249	0.38
16	A"	1212	1141	4.90
17	A"	819	770	0.28
18	A"	257	242	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
C2	1.114	-0.463	0.000
F3	-1.222	-0.084	0.000
H4	0.061	1.189	0.885
H5	0.061	1.189	-0.885
H6	2.077	0.047	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		1.5071	1.3778	1.0917	1.0917	2.1375	2.1504	2.1504
C2	1.5071		2.3661	2.1495	2.1495	1.0904	1.0896	1.0896
F3	1.3778	2.3661		2.0123	2.0123	3.3017	2.6475	2.6475
H4	1.0917	2.1495	2.0123		1.7698	2.4800	2.4946	3.0582
H5	1.0917	2.1495	2.0123	1.7698		2.4800	3.0582	2.4946
H6	2.1375	1.0904	3.3017	2.4800	2.4800		1.7693	1.7693
H7	2.1504	1.0896	2.6475	2.4946	3.0582	1.7693		1.7681
H8	2.1504	1.0896	2.6475	3.0582	2.4946	1.7693	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.716	C1	C2	H7	110.794
C1	C2	H8	110.794	C2	C1	F3	110.129
C2	C1	H4	110.587	C2	C1	H5	110.587
F3	C1	H4	108.589	F3	C1	H5	108.589
H4	C1	H5	108.297	H6	C2	H7	108.506
H6	C2	H8	108.506	H7	C2	H8	108.458

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)