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	hartrees
Energy at 0K	-214.511740
Energy at 298.15K	-214.519324
HF Energy	-214.335199
Nuclear repulsion energy	129.661091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3167	2.98
2	A'	3560	3165	2.99
3	A'	3377	3001	0.63
4	A'	3361	2988	15.59
5	A'	1736	1544	1.29
6	A'	1724	1532	1.27
7	A'	1613	1434	2.86
8	A'	1551	1379	21.63
9	A'	1342	1193	6.66
10	A'	1297	1153	10.20
11	A'	1092	970	0.49
12	A'	902	802	0.03
13	A'	493	438	0.65
14	A'	357	317	0.18
15	A'	216	192	0.02
16	A"	3562	3166	0.20
17	A"	3559	3164	0.96
18	A"	3377	3002	1.43
19	A"	1726	1534	0.00
20	A"	1720	1529	0.05
21	A"	1603	1425	0.98
22	A"	1516	1348	21.53
23	A"	1247	1108	9.98
24	A"	1054	937	0.11
25	A"	1029	914	0.19
26	A"	407	362	2.22
27	A"	187	166	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.268	0.263	0.000
F2	-0.849	1.117	0.000
H3	1.198	0.886	0.000
C4	0.268	-0.623	1.298
C5	0.268	-0.623	-1.298
H6	1.170	-1.257	1.323
H7	1.170	-1.257	-1.323
H8	0.261	0.015	2.197
H9	0.261	0.015	-2.197
H10	-0.622	-1.274	1.321
H11	-0.622	-1.274	-1.321

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4067	1.1199	1.5713	1.5713	2.2074	2.2074	2.2110	2.2110	2.2132	2.2132
F2	1.4067		2.0606	2.4417	2.4417	3.3858	3.3858	2.6969	2.6969	2.7405	2.7405
H3	1.1199	2.0606		2.1974	2.1974	2.5192	2.5192	2.5427	2.5427	3.1186	3.1186
C4	1.5713	2.4417	2.1974		2.5955	1.1025	2.8427	1.1031	3.5528	1.1030	2.8416
C5	1.5713	2.4417	2.1974	2.5955		2.8427	1.1025	3.5528	1.1031	2.8416	1.1030
H6	2.2074	3.3858	2.5192	1.1025	2.8427		2.6451	1.7920	3.8516	1.7924	3.1940
H7	2.2074	3.3858	2.5192	2.8427	1.1025	2.6451		3.8516	1.7920	3.1940	1.7924
H8	2.2110	2.6969	2.5427	1.1031	3.5528	1.7920	3.8516		4.3942	1.7912	3.8496
H9	2.2110	2.6969	2.5427	3.5528	1.1031	3.8516	1.7920	4.3942		3.8496	1.7912
H10	2.2132	2.7405	3.1186	1.1030	2.8416	1.7924	3.1940	1.7912	3.8496		2.6422
H11	2.2132	2.7405	3.1186	2.8416	1.1030	3.1940	1.7924	3.8496	1.7912	2.6422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.296	C1	C4	H10	110.475
C1	C5	H7	110.051	C1	C5	H9	110.296
C1	C5	H11	110.475	F2	C1	H3	108.754
F2	C1	C4	110.022	F2	C1	C5	110.022
H3	C1	C4	108.307	H3	C1	C5	108.307
C4	C1	C5	111.357	H7	C5	H9	108.675
H7	C5	H11	108.723	H8	C4	H10	108.572
H9	C5	H11	108.572

All results from a given calculation for CH₃CHFCH₃ (2-Fluoropropane)

using model chemistry: MP2=FULL/STO-3G

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 CH3CHFCH3 (2-Fluoropropane)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CH₃CHFCH₃ (2-Fluoropropane)