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	hartrees
Energy at 0K	-218.404488
Energy at 298.15K	-218.412295
HF Energy	-218.404488
Nuclear repulsion energy	131.872180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3018	35.90
2	A'	3121	3010	44.78
3	A'	3052	2943	24.93
4	A'	3048	2939	11.40
5	A'	1514	1459	8.81
6	A'	1495	1441	7.22
7	A'	1424	1373	17.53
8	A'	1365	1316	16.25
9	A'	1198	1155	8.90
10	A'	1141	1101	51.95
11	A'	934	901	56.71
12	A'	815	786	19.14
13	A'	475	458	3.44
14	A'	352	339	1.02
15	A'	254	245	0.06
16	A"	3128	3016	16.43
17	A"	3114	3003	0.78
18	A"	3043	2934	16.68
19	A"	1491	1437	0.06
20	A"	1484	1431	0.19
21	A"	1416	1366	28.19
22	A"	1376	1327	4.30
23	A"	1160	1119	14.98
24	A"	944	910	0.26
25	A"	932	899	0.29
26	A"	405	390	7.17
27	A"	214	206	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.285	0.238	0.000
F2	-0.886	1.044	0.000
H3	1.123	0.946	0.000
C4	0.285	-0.584	1.277
C5	0.285	-0.584	-1.277
H6	1.204	-1.176	1.347
H7	1.204	-1.176	-1.347
H8	0.227	0.067	2.154
H9	0.227	0.067	-2.154
H10	-0.570	-1.268	1.294
H11	-0.570	-1.268	-1.294

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4219	1.0971	1.5190	1.5190	2.1579	2.1579	2.1614	2.1614	2.1618	2.1618
F2	1.4219		2.0112	2.3780	2.3780	3.3334	3.3334	2.6140	2.6140	2.6686	2.6686
H3	1.0971	2.0112		2.1623	2.1623	2.5144	2.5144	2.4925	2.4925	3.0729	3.0729
C4	1.5190	2.3780	2.1623		2.5547	1.0955	2.8426	1.0938	3.4931	1.0950	2.7949
C5	1.5190	2.3780	2.1623	2.5547		2.8426	1.0955	3.4931	1.0938	2.7949	1.0950
H6	2.1579	3.3334	2.5144	1.0955	2.8426		2.6930	1.7754	3.8410	1.7776	3.1828
H7	2.1579	3.3334	2.5144	2.8426	1.0955	2.6930		3.8410	1.7754	3.1828	1.7776
H8	2.1614	2.6140	2.4925	1.0938	3.4931	1.7754	3.8410		4.3078	1.7774	3.7827
H9	2.1614	2.6140	2.4925	3.4931	1.0938	3.8410	1.7754	4.3078		3.7827	1.7774
H10	2.1618	2.6686	3.0729	1.0950	2.7949	1.7776	3.1828	1.7774	3.7827		2.5883
H11	2.1618	2.6686	3.0729	2.7949	1.0950	3.1828	1.7776	3.7827	1.7774	2.5883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.580	C1	C4	H10	110.541
C1	C5	H7	110.198	C1	C5	H9	110.580
C1	C5	H11	110.541	F2	C1	H3	105.230
F2	C1	C4	107.872	F2	C1	C5	107.872
H3	C1	C4	110.451	H3	C1	C5	110.451
C4	C1	C5	114.480	H7	C5	H9	108.378
H7	C5	H11	108.487	H8	C4	H10	108.591
H9	C5	H11	108.591

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

using model chemistry: B3LYP/6-31+G**

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	0.292
2	F	-0.339
3	H	0.126
4	C	-0.508
5	C	-0.508
6	H	0.148
7	H	0.148
8	H	0.162
9	H	0.162
10	H	0.158
11	H	0.158

	x	y	z	Total
	1.721	-1.352	0.000	2.188
CHELPG
AIM
ESP

	x	y	z
x	5.434	-0.129	0.000
y	-0.129	5.544	0.000
z	0.000	0.000	6.041

<r²>	86.756
(<r²>)^1/2	9.314

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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