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	hartrees
Energy at 0K	-178.960761
Energy at 298.15K	-178.955943
HF Energy	-179.069652
Nuclear repulsion energy	79.220933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	3007	24.44
2	A'	3043	2936	10.05
3	A'	3016	2911	46.26
4	A'	1527	1473	0.70
5	A'	1498	1445	1.03
6	A'	1434	1384	27.96
7	A'	1402	1353	0.93
8	A'	1137	1097	45.10
9	A'	1078	1041	50.41
10	A'	897	866	9.24
11	A'	406	391	4.65
12	A"	3124	3015	31.62
13	A"	3054	2947	36.27
14	A"	1483	1431	3.61
15	A"	1302	1257	0.16
16	A"	1198	1156	4.66
17	A"	808	780	0.53
18	A"	256	247	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.555	0.000
C2	1.119	-0.469	0.000
F3	-1.225	-0.082	0.000
H4	0.052	1.198	0.889
H5	0.052	1.198	-0.889
H6	2.092	0.034	0.000
H7	1.059	-1.105	0.887
H8	1.059	-1.105	-0.887

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5171	1.3813	1.0978	1.0978	2.1556	2.1603	2.1603
C2	1.5171		2.3761	2.1697	2.1697	1.0948	1.0937	1.0937
F3	1.3813	2.3761		2.0147	2.0147	3.3190	2.6556	2.6556
H4	1.0978	2.1697	2.0147		1.7771	2.5111	2.5140	3.0780
H5	1.0978	2.1697	2.0147	1.7771		2.5111	3.0780	2.5140
H6	2.1556	1.0948	3.3190	2.5111	2.5111		1.7754	1.7754
H7	2.1603	1.0937	2.6556	2.5140	3.0780	1.7754		1.7747
H8	2.1603	1.0937	2.6556	3.0780	2.5140	1.7754	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.475	C1	C2	H7	110.474
C1	C2	H8	110.474	C2	C1	F3	110.052
C2	C1	H4	110.947	C2	C1	H5	110.947
F3	C1	H4	108.355	F3	C1	H5	108.355
H4	C1	H5	108.096	H6	C2	H7	108.451
H6	C2	H8	108.451	H7	C2	H8	108.449

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: G4

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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Number	Element	Mulliken
1	C	-0.028
2	C	-0.389
3	F	-0.163
4	H	0.100
5	H	0.100
6	H	0.119
7	H	0.131
8	H	0.131

	x	y	z	Total
	1.527	0.575	0.000	1.632
CHELPG
AIM
ESP

<r²>	51.030
(<r²>)^1/2	7.144

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: G4

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)