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	hartrees
Energy at 0K	-218.030844
Energy at 298.15K	-218.038703
HF Energy	-217.897987
Nuclear repulsion energy	130.945446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3170	38.83
2	A'	3159	3159	45.66
3	A'	3095	3095	25.16
4	A'	3077	3077	11.20
5	A'	1571	1571	11.49
6	A'	1555	1555	6.36
7	A'	1487	1487	11.01
8	A'	1398	1398	18.57
9	A'	1252	1252	11.27
10	A'	1176	1176	24.10
11	A'	947	947	28.24
12	A'	819	819	16.31
13	A'	475	475	3.51
14	A'	355	355	1.55
15	A'	258	258	0.15
16	A"	3166	3166	16.78
17	A"	3151	3151	0.81
18	A"	3073	3073	13.26
19	A"	1552	1552	0.24
20	A"	1544	1544	1.06
21	A"	1471	1471	16.36
22	A"	1436	1436	14.48
23	A"	1201	1201	15.82
24	A"	994	994	0.43
25	A"	977	977	0.50
26	A"	390	390	9.00
27	A"	221	221	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.301	0.238	0.000
F2	-0.926	1.035	0.000
H3	1.120	0.965	0.000
C4	0.301	-0.582	1.281
C5	0.301	-0.582	-1.281
H6	1.222	-1.168	1.360
H7	1.222	-1.168	-1.360
H8	0.228	0.073	2.153
H9	0.228	0.073	-2.153
H10	-0.551	-1.268	1.288
H11	-0.551	-1.268	-1.288

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4634	1.0950	1.5206	1.5206	2.1626	2.1626	2.1605	2.1605	2.1573	2.1573
F2	1.4634		2.0474	2.4001	2.4001	3.3647	3.3647	2.6253	2.6253	2.6651	2.6651
H3	1.0950	2.0474		2.1687	2.1687	2.5321	2.5321	2.4954	2.4954	3.0722	3.0722
C4	1.5206	2.4001	2.1687		2.5614	1.0950	2.8578	1.0931	3.4963	1.0943	2.7924
C5	1.5206	2.4001	2.1687	2.5614		2.8578	1.0950	3.4963	1.0931	2.7924	1.0943
H6	2.1626	3.3647	2.5321	1.0950	2.8578		2.7204	1.7772	3.8565	1.7781	3.1892
H7	2.1626	3.3647	2.5321	2.8578	1.0950	2.7204		3.8565	1.7772	3.1892	1.7781
H8	2.1605	2.6253	2.4954	1.0931	3.4963	1.7772	3.8565		4.3059	1.7754	3.7745
H9	2.1605	2.6253	2.4954	3.4963	1.0931	3.8565	1.7772	4.3059		3.7745	1.7754
H10	2.1573	2.6651	3.0722	1.0943	2.7924	1.7781	3.1892	1.7754	3.7745		2.5767
H11	2.1573	2.6651	3.0722	2.7924	1.0943	3.1892	1.7781	3.7745	1.7754	2.5767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.435	C1	C4	H10	110.112
C1	C5	H7	110.482	C1	C5	H9	110.435
C1	C5	H11	110.112	F2	C1	H3	105.407
F2	C1	C4	107.074	F2	C1	C5	107.074
H3	C1	C4	110.973	H3	C1	C5	110.973
C4	C1	C5	114.749	H7	C5	H9	108.624
H7	C5	H11	108.616	H8	C4	H10	108.516
H9	C5	H11	108.516

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

using model chemistry: B2PLYP/6-31G

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	0.195
2	F	-0.380
3	H	0.138
4	C	-0.428
5	C	-0.428
6	H	0.137
7	H	0.137
8	H	0.159
9	H	0.159
10	H	0.154
11	H	0.154

	x	y	z	Total
	1.829	-1.381	0.000	2.292
CHELPG
AIM
ESP

	x	y	z
x	4.733	-0.134	0.000
y	-0.134	4.683	0.000
z	0.000	0.000	5.016

<r²>	87.352
(<r²>)^1/2	9.346

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

using model chemistry: B2PLYP/6-31G

States and conformations

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