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	hartrees
Energy at 0K	-178.326714
Energy at 298.15K	-178.332304
HF Energy	-178.019895
Nuclear repulsion energy	77.498874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3026	25.11
2	A'	3104	2970	31.07
3	A'	3077	2944	11.76
4	A'	1598	1529	0.15
5	A'	1574	1506	5.11
6	A'	1495	1431	12.23
7	A'	1457	1394	16.47
8	A'	1160	1110	10.19
9	A'	1064	1018	37.74
10	A'	887	848	21.31
11	A'	394	377	8.35
12	A"	3184	3046	50.58
13	A"	3158	3022	9.53
14	A"	1560	1493	5.30
15	A"	1332	1274	0.81
16	A"	1205	1152	4.06
17	A"	850	813	0.71
18	A"	267	255	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.583	0.000
C2	1.161	-0.405	0.000
F3	-1.255	-0.171	0.000
H4	-0.012	1.214	0.896
H5	-0.012	1.214	-0.896
H6	2.119	0.133	0.000
H7	1.117	-1.043	0.890
H8	1.117	-1.043	-0.890

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5243	1.4640	1.0956	1.0956	2.1661	2.1646	2.1646
C2	1.5243		2.4275	2.1906	2.1906	1.0986	1.0964	1.0964
F3	1.4640	2.4275		2.0649	2.0649	3.3877	2.6801	2.6801
H4	1.0956	2.1906	2.0649		1.7912	2.5517	2.5240	3.0919
H5	1.0956	2.1906	2.0649	1.7912		2.5517	3.0919	2.5240
H6	2.1661	1.0986	3.3877	2.5517	2.5517		1.7832	1.7832
H7	2.1646	1.0964	2.6801	2.5240	3.0919	1.7832		1.7805
H8	2.1646	1.0964	2.6801	3.0919	2.5240	1.7832	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.287	C1	C2	H7	110.304
C1	C2	H8	110.304	C2	C1	F3	108.628
C2	C1	H4	112.434	C2	C1	H5	112.434
F3	C1	H4	106.671	F3	C1	H5	106.671
H4	C1	H5	109.667	H6	C2	H7	108.658
H6	C2	H8	108.658	H7	C2	H8	108.579

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)