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	hartrees
Energy at 0K	-218.378037
Energy at 298.15K	-218.385879
HF Energy	-218.378037
Nuclear repulsion energy	132.681123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3007	33.99
2	A'	3138	3002	51.37
3	A'	3064	2931	28.84
4	A'	3056	2923	10.57
5	A'	1515	1449	9.64
6	A'	1488	1424	5.87
7	A'	1423	1361	23.07
8	A'	1384	1323	10.90
9	A'	1205	1153	11.64
10	A'	1168	1117	56.18
11	A'	960	918	43.61
12	A'	835	798	11.12
13	A'	488	467	3.32
14	A'	359	343	1.02
15	A'	250	239	0.14
16	A"	3141	3005	17.76
17	A"	3131	2995	0.04
18	A"	3052	2920	15.12
19	A"	1490	1426	0.06
20	A"	1479	1415	0.06
21	A"	1425	1363	37.27
22	A"	1377	1317	0.36
23	A"	1174	1123	14.04
24	A"	953	911	0.16
25	A"	935	895	0.43
26	A"	415	396	7.33
27	A"	198	190	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.242	0.000
F2	-0.870	1.043	0.000
H3	1.129	0.933	0.000
C4	0.279	-0.585	1.269
C5	0.279	-0.585	-1.269
H6	1.194	-1.180	1.334
H7	1.194	-1.180	-1.334
H8	0.224	0.063	2.145
H9	0.224	0.063	-2.145
H10	-0.579	-1.262	1.280
H11	-0.579	-1.262	-1.280

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4008	1.0953	1.5141	1.5141	2.1536	2.1536	2.1536	2.1536	2.1529	2.1529
F2	1.4008		2.0017	2.3621	2.3621	3.3136	3.3136	2.6000	2.6000	2.6523	2.6523
H3	1.0953	2.0017		2.1530	2.1530	2.5000	2.5000	2.4858	2.4858	3.0614	3.0614
C4	1.5141	2.3621	2.1530		2.5371	1.0932	2.8219	1.0915	3.4753	1.0930	2.7727
C5	1.5141	2.3621	2.1530	2.5371		2.8219	1.0932	3.4753	1.0915	2.7727	1.0930
H6	2.1536	3.3136	2.5000	1.0932	2.8219		2.6677	1.7732	3.8198	1.7752	3.1589
H7	2.1536	3.3136	2.5000	2.8219	1.0932	2.6677		3.8198	1.7732	3.1589	1.7752
H8	2.1536	2.6000	2.4858	1.0915	3.4753	1.7732	3.8198		4.2908	1.7744	3.7591
H9	2.1536	2.6000	2.4858	3.4753	1.0915	3.8198	1.7732	4.2908		3.7591	1.7744
H10	2.1529	2.6523	3.0614	1.0930	2.7727	1.7752	3.1589	1.7744	3.7591		2.5594
H11	2.1529	2.6523	3.0614	2.7727	1.0930	3.1589	1.7752	3.7591	1.7744	2.5594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.433	C1	C4	H10	110.289
C1	C5	H7	110.331	C1	C5	H9	110.433
C1	C5	H11	110.289	F2	C1	H3	105.983
F2	C1	C4	108.196	F2	C1	C5	108.196
H3	C1	C4	110.156	H3	C1	C5	110.156
C4	C1	C5	113.815	H7	C5	H9	108.513
H7	C5	H11	108.581	H8	C4	H10	108.637
H9	C5	H11	108.637

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

using model chemistry: wB97X-D/6-311G**

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	0.109
2	F	-0.293
3	H	0.106
4	C	-0.330
5	C	-0.330
6	H	0.114
7	H	0.114
8	H	0.132
9	H	0.132
10	H	0.122
11	H	0.122

	x	y	z	Total
	1.500	-1.174	0.000	1.905
CHELPG
AIM
ESP

	x	y	z
x	5.086	-0.016	0.000
y	-0.016	5.164	0.000
z	0.000	0.000	5.748

<r²>	85.568
(<r²>)^1/2	9.250

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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