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	hartrees
Energy at 0K	-178.771812
Energy at 298.15K	-178.777407
HF Energy	-178.152382
Nuclear repulsion energy	79.273771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3022	15.81
2	A'	3095	2949	33.37
3	A'	3082	2936	7.99
4	A'	1545	1472	1.18
5	A'	1521	1450	1.75
6	A'	1436	1368	24.72
7	A'	1409	1343	0.99
8	A'	1137	1083	19.73
9	A'	1090	1038	86.12
10	A'	899	857	17.43
11	A'	412	393	6.15
12	A"	3188	3038	23.53
13	A"	3150	3002	12.72
14	A"	1503	1433	5.57
15	A"	1316	1254	0.26
16	A"	1199	1142	4.19
17	A"	819	780	0.66
18	A"	257	245	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
C2	1.117	-0.455	0.000
F3	-1.224	-0.094	0.000
H4	0.054	1.188	0.885
H5	0.054	1.188	-0.885
H6	2.076	0.063	0.000
H7	1.066	-1.089	0.884
H8	1.066	-1.089	-0.884

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5047	1.3845	1.0913	1.0913	2.1329	2.1472	2.1472
C2	1.5047		2.3693	2.1486	2.1486	1.0896	1.0887	1.0887
F3	1.3845	2.3693		2.0152	2.0152	3.3039	2.6485	2.6485
H4	1.0913	2.1486	2.0152		1.7708	2.4779	2.4916	3.0559
H5	1.0913	2.1486	2.0152	1.7708		2.4779	3.0559	2.4916
H6	2.1329	1.0896	3.3039	2.4779	2.4779		1.7685	1.7685
H7	2.1472	1.0887	2.6485	2.4916	3.0559	1.7685		1.7679
H8	2.1472	1.0887	2.6485	3.0559	2.4916	1.7685	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.566	C1	C2	H7	110.758
C1	C2	H8	110.758	C2	C1	F3	110.113
C2	C1	H4	110.709	C2	C1	H5	110.709
F3	C1	H4	108.392	F3	C1	H5	108.392
H4	C1	H5	108.452	H6	C2	H7	108.559
H6	C2	H8	108.559	H7	C2	H8	108.580

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)