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	hartrees
Energy at 0K	-38.197233
Energy at 298.15K	-38.202828
HF Energy	-37.756019
Nuclear repulsion energy	46.696843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3027	27.60
2	A'	3105	2959	42.28
3	A'	3078	2933	13.95
4	A'	1562	1488	0.44
5	A'	1537	1465	2.93
6	A'	1463	1394	32.39
7	A'	1425	1358	4.95
8	A'	1140	1086	17.48
9	A'	1081	1030	84.18
10	A'	895	853	21.39
11	A'	408	389	6.92
12	A"	3198	3047	49.64
13	A"	3170	3021	12.89
14	A"	1521	1450	6.00
15	A"	1309	1247	0.01
16	A"	1211	1154	4.51
17	A"	818	779	0.22
18	A"	270	257	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.569	0.000
C2	1.138	-0.441	0.000
F3	-1.235	-0.122	0.000
H4	0.011	1.199	0.895
H5	0.011	1.199	-0.895
H6	2.100	0.084	0.000
H7	1.082	-1.074	0.890
H8	1.082	-1.074	-0.890

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5223	1.4155	1.0944	1.0944	2.1551	2.1595	2.1595
C2	1.5223		2.3948	2.1826	2.1826	1.0956	1.0931	1.0931
F3	1.4155	2.3948		2.0245	2.0245	3.3412	2.6586	2.6586
H4	1.0944	2.1826	2.0245		1.7901	2.5315	2.5129	3.0822
H5	1.0944	2.1826	2.0245	1.7901		2.5315	3.0822	2.5129
H6	2.1551	1.0956	3.3412	2.5315	2.5315		1.7797	1.7797
H7	2.1595	1.0931	2.6586	2.5129	3.0822	1.7797		1.7795
H8	2.1595	1.0931	2.6586	3.0822	2.5129	1.7797	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.745	C1	C2	H7	110.237
C1	C2	H8	110.237	C2	C1	F3	109.157
C2	C1	H4	112.006	C2	C1	H5	112.006
F3	C1	H4	106.834	F3	C1	H5	106.834
H4	C1	H5	109.737	H6	C2	H7	108.810
H6	C2	H8	108.810	H7	C2	H8	108.967

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)