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	hartrees
Energy at 0K	-178.647992
Energy at 298.15K	-178.653598
HF Energy	-178.092963
Nuclear repulsion energy	79.500757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3035	12.53
2	A'	3117	2944	5.92
3	A'	3106	2933	36.54
4	A'	1562	1475	0.62
5	A'	1531	1446	1.50
6	A'	1460	1379	29.08
7	A'	1420	1341	2.22
8	A'	1159	1094	52.71
9	A'	1114	1052	36.23
10	A'	916	865	7.70
11	A'	408	385	5.03
12	A"	3224	3045	16.92
13	A"	3162	2986	27.72
14	A"	1513	1429	4.39
15	A"	1329	1255	0.16
16	A"	1217	1149	4.94
17	A"	817	772	0.69
18	A"	266	251	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
C2	1.110	-0.467	0.000
F3	-1.220	-0.082	0.000
H4	0.071	1.192	0.885
H5	0.071	1.192	-0.885
H6	2.078	0.037	0.000
H7	1.050	-1.102	0.884
H8	1.050	-1.102	-0.884

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5080	1.3757	1.0941	1.0941	2.1410	2.1502	2.1502
C2	1.5080		2.3626	2.1487	2.1487	1.0910	1.0901	1.0901
F3	1.3757	2.3626		2.0186	2.0186	3.3005	2.6417	2.6417
H4	1.0941	2.1487	2.0186		1.7703	2.4789	2.4940	3.0580
H5	1.0941	2.1487	2.0186	1.7703		2.4789	3.0580	2.4940
H6	2.1410	1.0910	3.3005	2.4789	2.4789		1.7705	1.7705
H7	2.1502	1.0901	2.6417	2.4940	3.0580	1.7705		1.7686
H8	2.1502	1.0901	2.6417	3.0580	2.4940	1.7705	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.899	C1	C2	H7	110.682
C1	C2	H8	110.682	C2	C1	F3	109.942
C2	C1	H4	110.321	C2	C1	H5	110.321
F3	C1	H4	109.104	F3	C1	H5	109.104
H4	C1	H5	108.009	H6	C2	H7	108.539
H6	C2	H8	108.539	H7	C2	H8	108.437

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)