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	hartrees
Energy at 0K	-178.538849
Energy at 298.15K	-178.544465
HF Energy	-178.076163
Nuclear repulsion energy	78.993049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	2983	24.81
2	A'	3085	2913	19.50
3	A'	3080	2908	30.60
4	A'	1582	1494	0.13
5	A'	1551	1464	2.30
6	A'	1483	1401	31.60
7	A'	1447	1366	4.94
8	A'	1167	1102	32.02
9	A'	1116	1054	52.70
10	A'	925	874	13.47
11	A'	414	391	6.45
12	A"	3172	2996	35.09
13	A"	3128	2954	30.49
14	A"	1535	1449	4.45
15	A"	1328	1254	0.00
16	A"	1229	1160	4.93
17	A"	831	785	0.33
18	A"	272	257	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.557	0.000
C2	1.119	-0.459	0.000
F3	-1.228	-0.094	0.000
H4	0.063	1.199	0.890
H5	0.063	1.199	-0.890
H6	2.090	0.051	0.000
H7	1.060	-1.097	0.889
H8	1.060	-1.097	-0.889

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5115	1.3898	1.0989	1.0989	2.1505	2.1561	2.1561
C2	1.5115		2.3753	2.1575	2.1575	1.0969	1.0958	1.0958
F3	1.3898	2.3753		2.0325	2.0325	3.3214	2.6513	2.6513
H4	1.0989	2.1575	2.0325		1.7790	2.4933	2.5030	3.0704
H5	1.0989	2.1575	2.0325	1.7790		2.4933	3.0704	2.5030
H6	2.1505	1.0969	3.3214	2.4933	2.4933		1.7807	1.7807
H7	2.1561	1.0958	2.6513	2.5030	3.0704	1.7807		1.7777
H8	2.1561	1.0958	2.6513	3.0704	2.5030	1.7807	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.054	C1	C2	H7	110.561
C1	C2	H8	110.561	C2	C1	F3	109.840
C2	C1	H4	110.486	C2	C1	H5	110.486
F3	C1	H4	108.948	F3	C1	H5	108.948
H4	C1	H5	108.086	H6	C2	H7	108.599
H6	C2	H8	108.599	H7	C2	H8	108.408

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)