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	hartrees
Energy at 0K	-217.138976
Energy at 298.15K	-217.147047
HF Energy	-217.138976
Nuclear repulsion energy	133.238713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3273	2959	74.18	65.00	0.48	0.65
2	A'	3262	2949	64.01	84.80	0.75	0.86
3	A'	3225	2916	14.10	164.16	0.38	0.55
4	A'	3191	2885	14.61	233.75	0.01	0.01
5	A'	1630	1474	5.71	2.10	0.71	0.83
6	A'	1612	1457	4.99	11.40	0.75	0.86
7	A'	1555	1406	21.12	2.99	0.34	0.51
8	A'	1496	1352	18.44	5.73	0.70	0.82
9	A'	1300	1176	10.25	1.89	0.22	0.35
10	A'	1256	1136	62.75	2.23	0.72	0.84
11	A'	1038	939	68.08	8.51	0.67	0.80
12	A'	878	793	14.65	10.47	0.14	0.25
13	A'	512	463	4.53	0.42	0.05	0.10
14	A'	377	341	0.81	0.20	0.32	0.48
15	A'	275	248	0.15	0.01	0.72	0.84
16	A"	3266	2953	24.65	57.33	0.75	0.86
17	A"	3252	2941	1.34	10.12	0.75	0.86
18	A"	3185	2880	22.35	2.26	0.75	0.86
19	A"	1607	1453	0.02	10.00	0.75	0.86
20	A"	1603	1450	0.12	9.58	0.75	0.86
21	A"	1554	1405	24.81	0.02	0.75	0.86
22	A"	1497	1354	3.24	2.10	0.75	0.86
23	A"	1249	1129	13.68	5.70	0.75	0.86
24	A"	1018	920	0.01	3.29	0.75	0.86
25	A"	1009	912	0.17	1.01	0.75	0.86
26	A"	440	398	8.96	0.70	0.75	0.86
27	A"	230	208	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.243	0.000
F2	-0.866	1.030	0.000
H3	1.112	0.936	0.000
C4	0.278	-0.580	1.272
C5	0.278	-0.580	-1.272
H6	1.184	-1.174	1.335
H7	1.184	-1.174	-1.335
H8	0.230	0.067	2.141
H9	0.230	0.067	-2.141
H10	-0.576	-1.248	1.292
H11	-0.576	-1.248	-1.292

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3886	1.0843	1.5144	1.5144	2.1473	2.1473	2.1483	2.1483	2.1502	2.1502
F2	1.3886		1.9801	2.3488	2.3488	3.2930	3.2930	2.5904	2.5904	2.6356	2.6356
H3	1.0843	1.9801		2.1469	2.1469	2.4977	2.4977	2.4729	2.4729	3.0481	3.0481
C4	1.5144	2.3488	2.1469		2.5433	1.0858	2.8230	1.0841	3.4733	1.0851	2.7839
C5	1.5144	2.3488	2.1469	2.5433		2.8230	1.0858	3.4733	1.0841	2.7839	1.0851
H6	2.1473	3.2930	2.4977	1.0858	2.8230		2.6698	1.7608	3.8118	1.7627	3.1633
H7	2.1473	3.2930	2.4977	2.8230	1.0858	2.6698		3.8118	1.7608	3.1633	1.7627
H8	2.1483	2.5904	2.4729	1.0841	3.4733	1.7608	3.8118		4.2811	1.7607	3.7634
H9	2.1483	2.5904	2.4729	3.4733	1.0841	3.8118	1.7608	4.2811		3.7634	1.7607
H10	2.1502	2.6356	3.0481	1.0851	2.7839	1.7627	3.1633	1.7607	3.7634		2.5843
H11	2.1502	2.6356	3.0481	2.7839	1.0851	3.1633	1.7627	3.7634	1.7607	2.5843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.433	C1	C4	H10	110.525
C1	C5	H7	110.254	C1	C5	H9	110.433
C1	C5	H11	110.525	F2	C1	H3	105.733
F2	C1	C4	107.935	F2	C1	C5	107.935
H3	C1	C4	110.307	H3	C1	C5	110.307
C4	C1	C5	114.217	H7	C5	H9	108.477
H7	C5	H11	108.575	H8	C4	H10	108.516
H9	C5	H11	108.516

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

using model chemistry: HF/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	0.353
2	F	-0.399
3	H	0.111
4	C	-0.452
5	C	-0.452
6	H	0.130
7	H	0.130
8	H	0.147
9	H	0.147
10	H	0.142
11	H	0.142

	x	y	z	Total
	1.760	-1.351	0.000	2.218
CHELPG
AIM
ESP

	x	y	z
x	4.989	-0.067	0.000
y	-0.067	5.031	0.000
z	0.000	0.000	5.430

<r²>	85.394
(<r²>)^1/2	9.241

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

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

States and conformations

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