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	hartrees
Energy at 0K	-215.314667
Energy at 298.15K	-215.322189
HF Energy	-215.314667
Nuclear repulsion energy	130.279443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3127	1.23
2	A'	3540	3126	0.66
3	A'	3360	2967	0.30
4	A'	3299	2913	16.84
5	A'	1700	1501	3.34
6	A'	1688	1491	4.22
7	A'	1577	1393	6.98
8	A'	1508	1332	26.34
9	A'	1309	1156	18.27
10	A'	1274	1125	14.02
11	A'	1063	939	0.86
12	A'	891	787	0.25
13	A'	488	431	0.41
14	A'	353	312	0.40
15	A'	215	190	0.01
16	A"	3539	3126	0.00
17	A"	3538	3125	0.39
18	A"	3359	2967	0.37
19	A"	1687	1490	0.24
20	A"	1682	1485	0.40
21	A"	1563	1380	5.61
22	A"	1482	1308	16.39
23	A"	1224	1081	12.55
24	A"	1028	907	0.00
25	A"	1008	890	1.05
26	A"	400	353	1.63
27	A"	180	159	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	0.260	0.000
F2	-0.845	1.120	0.000
H3	1.202	0.871	0.000
C4	0.266	-0.623	1.286
C5	0.266	-0.623	-1.286
H6	1.163	-1.256	1.307
H7	1.163	-1.256	-1.307
H8	0.262	0.010	2.183
H9	0.262	0.010	-2.183
H10	-0.621	-1.269	1.308
H11	-0.621	-1.269	-1.308

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4048	1.1178	1.5603	1.5603	2.1926	2.1926	2.1970	2.1970	2.1986	2.1986
F2	1.4048		2.0614	2.4345	2.4345	3.3732	3.3732	2.6871	2.6871	2.7323	2.7323
H3	1.1178	2.0614		2.1827	2.1827	2.4966	2.4966	2.5276	2.5276	3.1005	3.1005
C4	1.5603	2.4345	2.1827		2.5726	1.0973	2.8154	1.0977	3.5264	1.0975	2.8164
C5	1.5603	2.4345	2.1827	2.5726		2.8154	1.0973	3.5264	1.0977	2.8164	1.0975
H6	2.1926	3.3732	2.4966	1.0973	2.8154		2.6131	1.7835	3.8195	1.7838	3.1648
H7	2.1926	3.3732	2.4966	2.8154	1.0973	2.6131		3.8195	1.7835	3.1648	1.7838
H8	2.1970	2.6871	2.5276	1.0977	3.5264	1.7835	3.8195		4.3655	1.7838	3.8208
H9	2.1970	2.6871	2.5276	3.5264	1.0977	3.8195	1.7835	4.3655		3.8208	1.7838
H10	2.1986	2.7323	3.1005	1.0975	2.8164	1.7838	3.1648	1.7838	3.8208		2.6152
H11	2.1986	2.7323	3.1005	2.8164	1.0975	3.1648	1.7838	3.8208	1.7838	2.6152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.282	C1	C4	H10	110.420
C1	C5	H7	109.962	C1	C5	H9	110.282
C1	C5	H11	110.420	F2	C1	H3	109.081
F2	C1	C4	110.272	F2	C1	C5	110.272
H3	C1	C4	108.040	H3	C1	C5	108.040
C4	C1	C5	111.059	H7	C5	H9	108.695
H7	C5	H11	108.733	H8	C4	H10	108.705
H9	C5	H11	108.705

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

using model chemistry: HSEh1PBE/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	0.049
2	F	-0.116
3	H	0.066
4	C	-0.244
5	C	-0.244
6	H	0.081
7	H	0.081
8	H	0.082
9	H	0.082
10	H	0.081
11	H	0.081

	x	y	z	Total
	0.767	-0.691	0.000	1.032
CHELPG
AIM
ESP

	x	y	z
x	2.522	-0.140	0.000
y	-0.140	2.494	0.000
z	0.000	0.000	2.628

<r²>	87.092
(<r²>)^1/2	9.332

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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