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	hartrees
Energy at 0K	-178.845917
Energy at 298.15K	-178.851450
Nuclear repulsion energy	78.677154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3075	3033	21.90
2	A'	2993	2952	10.24
3	A'	2956	2916	51.08
4	A'	1490	1470	0.41
5	A'	1464	1444	1.74
6	A'	1395	1376	32.67
7	A'	1361	1343	1.72
8	A'	1109	1094	37.55
9	A'	1057	1043	54.74
10	A'	880	868	8.70
11	A'	395	389	5.00
12	A"	3084	3042	26.70
13	A"	2998	2957	43.30
14	A"	1448	1428	4.72
15	A"	1263	1245	0.03
16	A"	1159	1143	4.38
17	A"	790	779	1.16
18	A"	266	263	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.559	0.000
C2	1.127	-0.457	0.000
F3	-1.234	-0.098	0.000
H4	0.048	1.208	0.895
H5	0.048	1.208	-0.895
H6	2.105	0.052	0.000
H7	1.072	-1.099	0.893
H8	1.072	-1.099	-0.893

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5178	1.3986	1.1067	1.1067	2.1655	2.1670	2.1670
C2	1.5178		2.3890	2.1772	2.1772	1.1024	1.1012	1.1012
F3	1.3986	2.3890		2.0376	2.0376	3.3431	2.6680	2.6680
H4	1.1067	2.1772	2.0376		1.7905	2.5242	2.5243	3.0935
H5	1.1067	2.1772	2.0376	1.7905		2.5242	3.0935	2.5243
H6	2.1655	1.1024	3.3431	2.5242	2.5242		1.7862	1.7862
H7	2.1670	1.1012	2.6680	2.5243	3.0935	1.7862		1.7858
H8	2.1670	1.1012	2.6680	3.0935	2.5243	1.7862	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.466	C1	C2	H7	110.665
C1	C2	H8	110.665	C2	C1	F3	109.933
C2	C1	H4	111.136	C2	C1	H5	111.136
F3	C1	H4	108.276	F3	C1	H5	108.276
H4	C1	H5	107.983	H6	C2	H7	108.302
H6	C2	H8	108.302	H7	C2	H8	108.358

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	0.078
2	C	-0.398
3	F	-0.289
4	H	0.105
5	H	0.105
6	H	0.122
7	H	0.139
8	H	0.139

	x	y	z	Total
	1.496	0.565	0.000	1.599
CHELPG
AIM
ESP

	x	y	z
x	3.701	-0.094	0.000
y	-0.094	3.651	0.000
z	0.000	0.000	3.499

<r²>	51.491
(<r²>)^1/2	7.176

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)