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	hartrees
Energy at 0K	-217.899325
Energy at 298.15K	-217.907222
HF Energy	-217.139325
Nuclear repulsion energy	133.055008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3025	20.49
2	A'	3191	3022	33.66
3	A'	3102	2938	4.19
4	A'	3095	2931	31.44
5	A'	1546	1464	4.20
6	A'	1524	1444	4.67
7	A'	1452	1375	23.82
8	A'	1427	1351	9.27
9	A'	1227	1162	22.16
10	A'	1207	1143	42.82
11	A'	1004	951	27.25
12	A'	850	805	4.95
13	A'	480	455	2.61
14	A'	352	333	0.85
15	A'	265	251	0.10
16	A"	3192	3023	11.68
17	A"	3184	3016	0.04
18	A"	3099	2935	10.02
19	A"	1520	1440	0.00
20	A"	1514	1434	0.00
21	A"	1448	1372	27.01
22	A"	1405	1330	2.07
23	A"	1189	1126	11.43
24	A"	960	910	0.03
25	A"	942	892	0.54
26	A"	410	389	5.83
27	A"	220	208	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.250	0.000
F2	-0.861	1.036	0.000
H3	1.134	0.931	0.000
C4	0.276	-0.583	1.269
C5	0.276	-0.583	-1.269
H6	1.184	-1.188	1.330
H7	1.184	-1.188	-1.330
H8	0.228	0.062	2.147
H9	0.228	0.062	-2.147
H10	-0.589	-1.250	1.279
H11	-0.589	-1.250	-1.279

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3826	1.0954	1.5180	1.5180	2.1586	2.1586	2.1554	2.1554	2.1528	2.1528
F2	1.3826		1.9981	2.3507	2.3507	3.3008	3.3008	2.5964	2.5964	2.6337	2.6337
H3	1.0954	1.9981		2.1540	2.1540	2.5023	2.5023	2.4868	2.4868	3.0597	3.0597
C4	1.5180	2.3507	2.1540		2.5376	1.0919	2.8182	1.0909	3.4763	1.0921	2.7722
C5	1.5180	2.3507	2.1540	2.5376		2.8182	1.0919	3.4763	1.0909	2.7722	1.0921
H6	2.1586	3.3008	2.5023	1.0919	2.8182		2.6600	1.7731	3.8163	1.7740	3.1548
H7	2.1586	3.3008	2.5023	2.8182	1.0919	2.6600		3.8163	1.7731	3.1548	1.7740
H8	2.1554	2.5964	2.4868	1.0909	3.4763	1.7731	3.8163		4.2933	1.7724	3.7584
H9	2.1554	2.5964	2.4868	3.4763	1.0909	3.8163	1.7731	4.2933		3.7584	1.7724
H10	2.1528	2.6337	3.0597	1.0921	2.7722	1.7740	3.1548	1.7724	3.7584		2.5585
H11	2.1528	2.6337	3.0597	2.7722	1.0921	3.1548	1.7740	3.7584	1.7724	2.5585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.337	C1	C4	H10	110.068
C1	C5	H7	110.533	C1	C5	H9	110.337
C1	C5	H11	110.068	F2	C1	H3	106.909
F2	C1	C4	108.184	F2	C1	C5	108.184
H3	C1	C4	109.960	H3	C1	C5	109.960
C4	C1	C5	113.405	H7	C5	H9	108.643
H7	C5	H11	108.638	H8	C4	H10	108.569
H9	C5	H11	108.569

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

using model chemistry: CCD/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 CH3CHFCH3 (2-Fluoropropane)

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

States and conformations

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