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	hartrees
Energy at 0K	-218.447543
Energy at 298.15K	-218.455368
HF Energy	-218.447543
Nuclear repulsion energy	132.244267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	3008	39.54
2	A'	3105	3002	52.83
3	A'	3036	2935	9.91
4	A'	3031	2930	28.05
5	A'	1511	1460	7.58
6	A'	1490	1440	6.85
7	A'	1419	1372	16.72
8	A'	1378	1332	11.80
9	A'	1198	1158	9.18
10	A'	1149	1111	46.19
11	A'	940	909	49.45
12	A'	820	792	12.21
13	A'	475	460	3.19
14	A'	351	339	0.98
15	A'	253	245	0.15
16	A"	3108	3005	19.41
17	A"	3097	2994	0.11
18	A"	3031	2930	14.64
19	A"	1488	1439	0.00
20	A"	1479	1430	0.08
21	A"	1411	1364	30.51
22	A"	1375	1329	3.48
23	A"	1159	1120	15.26
24	A"	943	912	0.30
25	A"	932	901	0.15
26	A"	405	392	7.45
27	A"	214	207	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.239	0.000
F2	-0.880	1.040	0.000
H3	1.127	0.938	0.000
C4	0.283	-0.583	1.276
C5	0.283	-0.583	-1.276
H6	1.198	-1.178	1.350
H7	1.198	-1.178	-1.350
H8	0.224	0.070	2.148
H9	0.224	0.070	-2.148
H10	-0.575	-1.261	1.291
H11	-0.575	-1.261	-1.291

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4118	1.0956	1.5177	1.5177	2.1607	2.1607	2.1557	2.1557	2.1570	2.1570
F2	1.4118		2.0092	2.3692	2.3692	3.3254	3.3254	2.6025	2.6025	2.6556	2.6556
H3	1.0956	2.0092		2.1571	2.1571	2.5114	2.5114	2.4867	2.4867	3.0654	3.0654
C4	1.5177	2.3692	2.1571		2.5510	1.0936	2.8436	1.0919	3.4861	1.0932	2.7898
C5	1.5177	2.3692	2.1571	2.5510		2.8436	1.0936	3.4861	1.0919	2.7898	1.0932
H6	2.1607	3.3254	2.5114	1.0936	2.8436		2.7009	1.7730	3.8403	1.7753	3.1822
H7	2.1607	3.3254	2.5114	2.8436	1.0936	2.7009		3.8403	1.7730	3.1822	1.7753
H8	2.1557	2.6025	2.4867	1.0919	3.4861	1.7730	3.8403		4.2965	1.7730	3.7734
H9	2.1557	2.6025	2.4867	3.4861	1.0919	3.8403	1.7730	4.2965		3.7734	1.7730
H10	2.1570	2.6556	3.0654	1.0932	2.7898	1.7753	3.1822	1.7730	3.7734		2.5824
H11	2.1570	2.6556	3.0654	2.7898	1.0932	3.1822	1.7753	3.7734	1.7730	2.5824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.331	C1	C4	H10	110.358
C1	C5	H7	110.631	C1	C5	H9	110.331
C1	C5	H11	110.358	F2	C1	H3	105.819
F2	C1	C4	107.893	F2	C1	C5	107.893
H3	C1	C4	110.226	H3	C1	C5	110.226
C4	C1	C5	114.374	H7	C5	H9	108.436
H7	C5	H11	108.552	H8	C4	H10	108.468
H9	C5	H11	108.468

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

using model chemistry: B3LYP/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	0.125
2	F	-0.299
3	H	0.098
4	C	-0.296
5	C	-0.296
6	H	0.103
7	H	0.103
8	H	0.120
9	H	0.120
10	H	0.111
11	H	0.111

	x	y	z	Total
	1.502	-1.156	0.000	1.896
CHELPG
AIM
ESP

	x	y	z
x	5.141	-0.031	0.000
y	-0.031	5.226	0.000
z	0.000	0.000	5.875

<r²>	86.219
(<r²>)^1/2	9.285

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

using model chemistry: B3LYP/6-311G**

States and conformations

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