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	hartrees
Energy at 0K	-218.172692
Energy at 298.15K	-218.180524
HF Energy	-218.172692
Nuclear repulsion energy	132.533896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3020	26.50
2	A'	3155	3013	39.47
3	A'	3073	2934	28.40
4	A'	3069	2930	8.32
5	A'	1511	1443	9.06
6	A'	1492	1424	8.05
7	A'	1420	1356	24.63
8	A'	1369	1307	14.27
9	A'	1201	1147	11.81
10	A'	1154	1102	62.35
11	A'	959	915	46.27
12	A'	834	796	15.14
13	A'	477	456	3.21
14	A'	353	337	1.01
15	A'	258	246	0.05
16	A"	3161	3018	14.04
17	A"	3149	3007	0.24
18	A"	3065	2927	15.35
19	A"	1485	1418	0.06
20	A"	1481	1414	0.00
21	A"	1419	1355	37.46
22	A"	1372	1310	1.05
23	A"	1175	1122	13.17
24	A"	943	901	0.01
25	A"	931	889	1.03
26	A"	408	390	6.94
27	A"	215	205	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.239	0.000
F2	-0.877	1.040	0.000
H3	1.125	0.942	0.000
C4	0.282	-0.583	1.269
C5	0.282	-0.583	-1.269
H6	1.198	-1.178	1.335
H7	1.198	-1.178	-1.335
H8	0.227	0.065	2.148
H9	0.227	0.065	-2.148
H10	-0.576	-1.263	1.283
H11	-0.576	-1.263	-1.283

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4084	1.0975	1.5118	1.5118	2.1518	2.1518	2.1554	2.1554	2.1537	2.1537
F2	1.4084		2.0041	2.3635	2.3635	3.3178	3.3178	2.6041	2.6041	2.6540	2.6540
H3	1.0975	2.0041		2.1552	2.1552	2.5061	2.5061	2.4875	2.4875	3.0659	3.0659
C4	1.5118	2.3635	2.1552		2.5375	1.0948	2.8237	1.0932	3.4777	1.0946	2.7766
C5	1.5118	2.3635	2.1552	2.5375		2.8237	1.0948	3.4777	1.0932	2.7766	1.0946
H6	2.1518	3.3178	2.5061	1.0948	2.8237		2.6698	1.7746	3.8232	1.7763	3.1633
H7	2.1518	3.3178	2.5061	2.8237	1.0948	2.6698		3.8232	1.7746	3.1633	1.7763
H8	2.1554	2.6041	2.4875	1.0932	3.4777	1.7746	3.8232		4.2953	1.7765	3.7654
H9	2.1554	2.6041	2.4875	3.4777	1.0932	3.8232	1.7746	4.2953		3.7654	1.7765
H10	2.1537	2.6540	3.0659	1.0946	2.7766	1.7763	3.1633	1.7765	3.7654		2.5661
H11	2.1537	2.6540	3.0659	2.7766	1.0946	3.1633	1.7763	3.7654	1.7765	2.5661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.642	C1	C4	H10	110.429
C1	C5	H7	110.267	C1	C5	H9	110.642
C1	C5	H11	110.429	F2	C1	H3	105.538
F2	C1	C4	108.015	F2	C1	C5	108.015
H3	C1	C4	110.367	H3	C1	C5	110.367
C4	C1	C5	114.123	H7	C5	H9	108.398
H7	C5	H11	108.457	H8	C4	H10	108.583
H9	C5	H11	108.583

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

using model chemistry: HSEh1PBE/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	0.231
2	F	-0.315
3	H	0.148
4	C	-0.558
5	C	-0.558
6	H	0.167
7	H	0.167
8	H	0.182
9	H	0.182
10	H	0.177
11	H	0.177

	x	y	z	Total
	1.665	-1.317	0.000	2.123
CHELPG
AIM
ESP

	x	y	z
x	5.369	-0.108	0.000
y	-0.108	5.472	0.000
z	0.000	0.000	5.958

<r²>	85.855
(<r²>)^1/2	9.266

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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