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	hartrees
Energy at 0K	-218.368652
Energy at 298.15K	-218.376500
HF Energy	-218.368652
Nuclear repulsion energy	132.678034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3144	45.05
2	A'	3139	3139	58.18
3	A'	3071	3071	29.50
4	A'	3059	3059	11.97
5	A'	1534	1534	11.57
6	A'	1507	1507	5.95
7	A'	1438	1438	23.10
8	A'	1394	1394	12.32
9	A'	1213	1213	10.84
10	A'	1174	1174	56.03
11	A'	964	964	45.51
12	A'	836	836	11.46
13	A'	489	489	3.34
14	A'	361	361	0.95
15	A'	253	253	0.16
16	A"	3141	3141	20.64
17	A"	3131	3131	0.04
18	A"	3055	3055	17.98
19	A"	1508	1508	0.05
20	A"	1497	1497	0.01
21	A"	1438	1438	38.66
22	A"	1390	1390	0.67
23	A"	1179	1179	13.94
24	A"	958	958	0.15
25	A"	941	941	0.47
26	A"	415	415	7.19
27	A"	201	201	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.242	0.000
F2	-0.869	1.044	0.000
H3	1.127	0.935	0.000
C4	0.279	-0.585	1.268
C5	0.279	-0.585	-1.268
H6	1.192	-1.183	1.337
H7	1.192	-1.183	-1.337
H8	0.225	0.062	2.146
H9	0.225	0.062	-2.146
H10	-0.580	-1.261	1.283
H11	-0.580	-1.261	-1.283

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4005	1.0955	1.5137	1.5137	2.1565	2.1565	2.1546	2.1546	2.1545	2.1545
F2	1.4005		1.9996	2.3618	2.3618	3.3155	3.3155	2.6016	2.6016	2.6533	2.6533
H3	1.0955	1.9996		2.1534	2.1534	2.5056	2.5056	2.4868	2.4868	3.0631	3.0631
C4	1.5137	2.3618	2.1534		2.5361	1.0934	2.8242	1.0918	3.4755	1.0932	2.7754
C5	1.5137	2.3618	2.1534	2.5361		2.8242	1.0934	3.4755	1.0918	2.7754	1.0932
H6	2.1565	3.3155	2.5056	1.0934	2.8242		2.6737	1.7718	3.8232	1.7740	3.1636
H7	2.1565	3.3155	2.5056	2.8242	1.0934	2.6737		3.8232	1.7718	3.1636	1.7740
H8	2.1546	2.6016	2.4868	1.0918	3.4755	1.7718	3.8232		4.2927	1.7725	3.7626
H9	2.1546	2.6016	2.4868	3.4755	1.0918	3.8232	1.7718	4.2927		3.7626	1.7725
H10	2.1545	2.6533	3.0631	1.0932	2.7754	1.7740	3.1636	1.7725	3.7626		2.5661
H11	2.1545	2.6533	3.0631	2.7754	1.0932	3.1636	1.7740	3.7626	1.7725	2.5661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.523	C1	C4	H10	110.435
C1	C5	H7	110.585	C1	C5	H9	110.523
C1	C5	H11	110.435	F2	C1	H3	105.828
F2	C1	C4	108.218	F2	C1	C5	108.218
H3	C1	C4	110.213	H3	C1	C5	110.213
C4	C1	C5	113.800	H7	C5	H9	108.351
H7	C5	H11	108.452	H8	C4	H10	108.422
H9	C5	H11	108.422

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	0.088
2	F	-0.289
3	H	0.191
4	C	-0.667
5	C	-0.667
6	H	0.215
7	H	0.215
8	H	0.234
9	H	0.234
10	H	0.223
11	H	0.223

	x	y	z	Total
	1.506	-1.168	0.000	1.906
CHELPG
AIM
ESP

	x	y	z
x	5.019	-0.015	0.000
y	-0.015	5.086	0.000
z	0.000	0.000	5.637

<r²>	85.639
(<r²>)^1/2	9.254

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)