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	hartrees
Energy at 0K	-178.211745
Energy at 298.15K	-178.217304
Nuclear repulsion energy	79.559376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3060	3031	15.87
2	A'	2978	2949	8.63
3	A'	2953	2925	45.70
4	A'	1470	1456	3.29
5	A'	1445	1431	1.57
6	A'	1386	1373	36.62
7	A'	1346	1333	9.96
8	A'	1120	1109	41.21
9	A'	1087	1076	65.90
10	A'	889	880	9.13
11	A'	403	399	6.00
12	A"	3065	3035	22.32
13	A"	2996	2967	30.03
14	A"	1425	1411	10.72
15	A"	1266	1254	0.01
16	A"	1153	1142	6.10
17	A"	790	782	1.93
18	A"	274	272	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
C2	1.110	-0.444	0.000
F3	-1.215	-0.103	0.000
H4	0.036	1.199	0.896
H5	0.036	1.199	-0.896
H6	2.091	0.057	0.000
H7	1.054	-1.088	0.891
H8	1.054	-1.088	-0.891

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.4923	1.3804	1.1056	1.1056	2.1493	2.1443	2.1443
C2	1.4923		2.3503	2.1584	2.1584	1.1019	1.1009	1.1009
F3	1.3804	2.3503		2.0154	2.0154	3.3102	2.6295	2.6295
H4	1.1056	2.1584	2.0154		1.7925	2.5165	2.5038	3.0763
H5	1.1056	2.1584	2.0154	1.7925		2.5165	3.0763	2.5038
H6	2.1493	1.1019	3.3102	2.5165	2.5165		1.7840	1.7840
H7	2.1443	1.1009	2.6295	2.5038	3.0763	1.7840		1.7823
H8	2.1443	1.1009	2.6295	3.0763	2.5038	1.7840	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.998	C1	C2	H7	110.659
C1	C2	H8	110.659	C2	C1	F3	109.740
C2	C1	H4	111.504	C2	C1	H5	111.504
F3	C1	H4	107.815	F3	C1	H5	107.815
H4	C1	H5	108.319	H6	C2	H7	108.168
H6	C2	H8	108.168	H7	C2	H8	108.084

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	-0.196
2	C	-0.754
3	F	-0.234
4	H	0.219
5	H	0.219
6	H	0.239
7	H	0.253
8	H	0.253

	x	y	z	Total
	1.647	0.677	0.000	1.780
CHELPG
AIM
ESP

	x	y	z
x	3.840	-0.146	0.000
y	-0.146	3.855	0.000
z	0.000	0.000	3.636

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: SVWN/6-311G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)