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	hartrees
Energy at 0K	-178.352042
Energy at 298.15K	-178.357566
HF Energy	-178.059629
Nuclear repulsion energy	76.716678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3030	37.53
2	A'	3093	2986	41.41
3	A'	3037	2932	17.17
4	A'	1551	1497	2.28
5	A'	1541	1487	5.10
6	A'	1466	1415	16.12
7	A'	1422	1372	13.53
8	A'	1131	1092	11.25
9	A'	1030	994	47.98
10	A'	842	813	30.21
11	A'	387	373	9.22
12	A"	3179	3069	65.39
13	A"	3151	3042	2.50
14	A"	1523	1470	7.18
15	A"	1295	1250	0.88
16	A"	1172	1131	5.16
17	A"	840	811	1.68
18	A"	253	244	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.592	0.000
C2	1.178	-0.398	0.000
F3	-1.268	-0.186	0.000
H4	-0.036	1.216	0.905
H5	-0.036	1.216	-0.905
H6	2.133	0.158	0.000
H7	1.142	-1.038	0.896
H8	1.142	-1.038	-0.896

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5386	1.4876	1.1002	1.1002	2.1769	2.1828	2.1828
C2	1.5386		2.4554	2.2132	2.2132	1.1053	1.1019	1.1019
F3	1.4876	2.4554		2.0745	2.0745	3.4188	2.7092	2.7092
H4	1.1002	2.2132	2.0745		1.8105	2.5776	2.5437	3.1168
H5	1.1002	2.2132	2.0745	1.8105		2.5776	3.1168	2.5437
H6	2.1769	1.1053	3.4188	2.5776	2.5776		1.7935	1.7935
H7	2.1828	1.1019	2.7092	2.5437	3.1168	1.7935		1.7921
H8	2.1828	1.1019	2.7092	3.1168	2.5437	1.7935	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.757	C1	C2	H7	110.418
C1	C2	H8	110.418	C2	C1	F3	108.451
C2	C1	H4	112.954	C2	C1	H5	112.954
F3	C1	H4	105.592	F3	C1	H5	105.592
H4	C1	H5	110.725	H6	C2	H7	108.694
H6	C2	H8	108.694	H7	C2	H8	108.815

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)