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	hartrees
Energy at 0K	-178.062522
Energy at 298.15K	-178.068173
Nuclear repulsion energy	78.487966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	2972	83.59
2	A'	3286	2957	20.10
3	A'	3214	2893	26.25
4	A'	1668	1501	1.93
5	A'	1650	1485	6.18
6	A'	1577	1419	20.37
7	A'	1535	1381	14.67
8	A'	1222	1099	19.35
9	A'	1131	1017	78.14
10	A'	930	837	45.67
11	A'	425	382	10.92
12	A"	3358	3022	75.81
13	A"	3311	2980	16.94
14	A"	1629	1466	7.84
15	A"	1400	1260	0.03
16	A"	1282	1153	8.51
17	A"	898	808	1.10
18	A"	252	226	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.574	0.000
C2	1.147	-0.418	0.000
F3	-1.240	-0.148	0.000
H4	-0.013	1.193	0.884
H5	-0.013	1.193	-0.884
H6	2.094	0.111	0.000
H7	1.106	-1.050	0.878
H8	1.106	-1.050	-0.878

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5172	1.4354	1.0792	1.0792	2.1448	2.1519	2.1519
C2	1.5172		2.4031	2.1736	2.1736	1.0847	1.0822	1.0822
F3	1.4354	2.4031		2.0217	2.0217	3.3447	2.6625	2.6625
H4	1.0792	2.1736	2.0217		1.7679	2.5283	2.5062	3.0637
H5	1.0792	2.1736	2.0217	1.7679		2.5283	3.0637	2.5062
H6	2.1448	1.0847	3.3447	2.5283	2.5283		1.7592	1.7592
H7	2.1519	1.0822	2.6625	2.5062	3.0637	1.7592		1.7563
H8	2.1519	1.0822	2.6625	3.0637	2.5062	1.7592	1.7563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.925	C1	C2	H7	110.642
C1	C2	H8	110.642	C2	C1	F3	108.921
C2	C1	H4	112.595	C2	C1	H5	112.595
F3	C1	H4	106.161	F3	C1	H5	106.161
H4	C1	H5	109.994	H6	C2	H7	108.550
H6	C2	H8	108.550	H7	C2	H8	108.471

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: HF/LANL2DZ

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	0.046
2	C	-0.532
3	F	-0.409
4	H	0.167
5	H	0.167
6	H	0.168
7	H	0.196
8	H	0.196

	x	y	z	Total
	2.583	1.235	0.000	2.863
CHELPG
AIM
ESP

	x	y	z
x	3.228	0.047	0.000
y	0.047	3.042	0.000
z	0.000	0.000	2.958

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)