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	hartrees
Energy at 0K	-215.503950
Energy at 298.15K	-215.511404
HF Energy	-215.503950
Nuclear repulsion energy	129.486037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3487	3111	2.92
2	A'	3485	3110	1.35
3	A'	3312	2955	0.45
4	A'	3242	2893	19.50
5	A'	1688	1506	3.14
6	A'	1677	1497	3.50
7	A'	1565	1396	4.45
8	A'	1488	1328	26.01
9	A'	1284	1146	18.00
10	A'	1257	1122	13.33
11	A'	1043	931	1.46
12	A'	866	773	0.19
13	A'	481	429	0.37
14	A'	347	310	0.33
15	A'	207	185	0.01
16	A"	3485	3110	0.02
17	A"	3483	3108	0.82
18	A"	3311	2955	0.79
19	A"	1677	1496	0.17
20	A"	1672	1492	0.39
21	A"	1548	1382	2.66
22	A"	1463	1306	18.56
23	A"	1196	1067	13.49
24	A"	1011	902	0.24
25	A"	996	889	0.41
26	A"	392	350	1.55
27	A"	174	155	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.268	0.262	0.000
F2	-0.850	1.125	0.000
H3	1.206	0.877	0.000
C4	0.268	-0.627	1.298
C5	0.268	-0.627	-1.298
H6	1.167	-1.261	1.320
H7	1.167	-1.261	-1.320
H8	0.264	0.011	2.195
H9	0.264	0.011	-2.195
H10	-0.622	-1.274	1.320
H11	-0.622	-1.274	-1.320

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4128	1.1209	1.5730	1.5730	2.2068	2.2068	2.2090	2.2090	2.2119	2.2119
F2	1.4128		2.0710	2.4503	2.4503	3.3920	3.3920	2.7015	2.7015	2.7470	2.7470
H3	1.1209	2.0710		2.1963	2.1963	2.5127	2.5127	2.5403	2.5403	3.1153	3.1153
C4	1.5730	2.4503	2.1963		2.5958	1.1003	2.8398	1.1007	3.5504	1.1004	2.8397
C5	1.5730	2.4503	2.1963	2.5958		2.8398	1.1003	3.5504	1.1007	2.8397	1.1004
H6	2.2068	3.3920	2.5127	1.1003	2.8398		2.6404	1.7887	3.8457	1.7892	3.1894
H7	2.2068	3.3920	2.5127	2.8398	1.1003	2.6404		3.8457	1.7887	3.1894	1.7892
H8	2.2090	2.7015	2.5403	1.1007	3.5504	1.7887	3.8457		4.3894	1.7888	3.8456
H9	2.2090	2.7015	2.5403	3.5504	1.1007	3.8457	1.7887	4.3894		3.8456	1.7888
H10	2.2119	2.7470	3.1153	1.1004	2.8397	1.7892	3.1894	1.7888	3.8456		2.6401
H11	2.2119	2.7470	3.1153	2.8397	1.1004	3.1894	1.7892	3.8456	1.7888	2.6401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.165	C1	C4	H10	110.403
C1	C5	H7	110.017	C1	C5	H9	110.165
C1	C5	H11	110.403	F2	C1	H3	109.104
F2	C1	C4	110.184	F2	C1	C5	110.184
H3	C1	C4	108.051	H3	C1	C5	108.051
C4	C1	C5	111.193	H7	C5	H9	108.717
H7	C5	H11	108.782	H8	C4	H10	108.715
H9	C5	H11	108.715

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.052
2	F	-0.112
3	H	0.061
4	C	-0.230
5	C	-0.230
6	H	0.076
7	H	0.076
8	H	0.077
9	H	0.077
10	H	0.076
11	H	0.076

	x	y	z	Total
	0.740	-0.664	0.000	0.994
CHELPG
AIM
ESP

	x	y	z
x	2.581	-0.147	0.000
y	-0.147	2.566	0.000
z	0.000	0.000	2.734

<r²>	88.094
(<r²>)^1/2	9.386

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

using model chemistry: B3LYP/STO-3G

States and conformations

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