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	hartrees
Energy at 0K	-215.558238
Energy at 298.15K	-215.565663
HF Energy	-215.558238
Nuclear repulsion energy	129.436512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3492	3.38
2	A'	3490	3490	1.56
3	A'	3318	3318	0.44
4	A'	3239	3239	21.08
5	A'	1696	1696	2.08
6	A'	1686	1686	2.56
7	A'	1566	1566	3.17
8	A'	1485	1485	27.47
9	A'	1282	1282	18.02
10	A'	1255	1255	12.64
11	A'	1039	1039	2.13
12	A'	864	864	0.16
13	A'	475	475	0.33
14	A'	340	340	0.26
15	A'	203	203	0.01
16	A"	3490	3490	0.08
17	A"	3488	3488	0.94
18	A"	3317	3317	0.77
19	A"	1685	1685	0.08
20	A"	1680	1680	0.22
21	A"	1549	1549	1.15
22	A"	1460	1460	20.97
23	A"	1195	1195	13.80
24	A"	1005	1005	0.21
25	A"	989	989	0.30
26	A"	390	390	1.42
27	A"	170	170	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	0.262	0.000
F2	-0.848	1.130	0.000
H3	1.208	0.873	0.000
C4	0.267	-0.629	1.296
C5	0.267	-0.629	-1.296
H6	1.166	-1.265	1.314
H7	1.166	-1.265	-1.314
H8	0.266	0.007	2.196
H9	0.266	0.007	-2.196
H10	-0.625	-1.275	1.319
H11	-0.625	-1.275	-1.319

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4130	1.1218	1.5730	1.5730	2.2064	2.2064	2.2105	2.2105	2.2132	2.2132
F2	1.4130		2.0720	2.4532	2.4532	3.3942	3.3942	2.7062	2.7062	2.7523	2.7523
H3	1.1218	2.0720		2.1958	2.1958	2.5099	2.5099	2.5413	2.5413	3.1165	3.1165
C4	1.5730	2.4532	2.1958		2.5925	1.1014	2.8334	1.1017	3.5494	1.1015	2.8375
C5	1.5730	2.4532	2.1958	2.5925		2.8334	1.1014	3.5494	1.1017	2.8375	1.1015
H6	2.2064	3.3942	2.5099	1.1014	2.8334		2.6287	1.7903	3.8404	1.7909	3.1845
H7	2.2064	3.3942	2.5099	2.8334	1.1014	2.6287		3.8404	1.7903	3.1845	1.7909
H8	2.2105	2.7062	2.5413	1.1017	3.5494	1.7903	3.8404		4.3914	1.7908	3.8458
H9	2.2105	2.7062	2.5413	3.5494	1.1017	3.8404	1.7903	4.3914		3.8458	1.7908
H10	2.2132	2.7523	3.1165	1.1015	2.8375	1.7909	3.1845	1.7908	3.8458		2.6377
H11	2.2132	2.7523	3.1165	2.8375	1.1015	3.1845	1.7909	3.8458	1.7908	2.6377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.219	C1	C4	H10	110.444
C1	C5	H7	109.916	C1	C5	H9	110.219
C1	C5	H11	110.444	F2	C1	H3	109.116
F2	C1	C4	110.367	F2	C1	C5	110.367
H3	C1	C4	107.964	H3	C1	C5	107.964
C4	C1	C5	110.980	H7	C5	H9	108.702
H7	C5	H11	108.776	H8	C4	H10	108.740
H9	C5	H11	108.740

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

using model chemistry: TPSSh/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	0.054
2	F	-0.108
3	H	0.056
4	C	-0.213
5	C	-0.213
6	H	0.071
7	H	0.071
8	H	0.071
9	H	0.071
10	H	0.070
11	H	0.070

	x	y	z
x	2.586	-0.150	0.000
y	-0.150	2.574	0.000
z	0.000	0.000	2.735

<r²>	88.193
(<r²>)^1/2	9.391

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

using model chemistry: TPSSh/STO-3G

States and conformations

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