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	hartrees
Energy at 0K	-215.175954
Energy at 298.15K	-215.183475
HF Energy	-215.115763
Nuclear repulsion energy	129.778297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3535	3535	2.34
2	A'	3533	3533	1.78
3	A'	3355	3355	0.48
4	A'	3312	3312	16.63
5	A'	1715	1715	2.40
6	A'	1703	1703	2.57
7	A'	1592	1592	3.88
8	A'	1519	1519	24.30
9	A'	1314	1314	12.18
10	A'	1279	1279	12.04
11	A'	1069	1069	0.83
12	A'	887	887	0.10
13	A'	487	487	0.46
14	A'	352	352	0.28
15	A'	211	211	0.02
16	A"	3533	3533	0.05
17	A"	3531	3531	0.75
18	A"	3354	3354	0.87
19	A"	1704	1704	0.08
20	A"	1698	1698	0.23
21	A"	1579	1579	2.13
22	A"	1493	1493	19.13
23	A"	1224	1224	11.54
24	A"	1034	1034	0.00
25	A"	1016	1016	0.48
26	A"	399	399	1.88
27	A"	179	179	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.269	0.262	0.000
F2	-0.851	1.118	0.000
H3	1.199	0.882	0.000
C4	0.269	-0.624	1.295
C5	0.269	-0.624	-1.295
H6	1.168	-1.256	1.319
H7	1.168	-1.256	-1.319
H8	0.261	0.014	2.192
H9	0.261	0.014	-2.192
H10	-0.620	-1.272	1.317
H11	-0.620	-1.272	-1.317

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4093	1.1182	1.5692	1.5692	2.2026	2.2026	2.2055	2.2055	2.2078	2.2078
F2	1.4093		2.0635	2.4424	2.4424	3.3837	3.3837	2.6943	2.6943	2.7383	2.7383
H3	1.1182	2.0635		2.1933	2.1933	2.5118	2.5118	2.5369	2.5369	3.1111	3.1111
C4	1.5692	2.4424	2.1933		2.5907	1.0993	2.8360	1.0998	3.5447	1.0996	2.8342
C5	1.5692	2.4424	2.1933	2.5907		2.8360	1.0993	3.5447	1.0998	2.8342	1.0996
H6	2.2026	3.3837	2.5118	1.0993	2.8360		2.6380	1.7872	3.8414	1.7876	3.1849
H7	2.2026	3.3837	2.5118	2.8360	1.0993	2.6380		3.8414	1.7872	3.1849	1.7876
H8	2.2055	2.6943	2.5369	1.0998	3.5447	1.7872	3.8414		4.3830	1.7869	3.8389
H9	2.2055	2.6943	2.5369	3.5447	1.0998	3.8414	1.7872	4.3830		3.8389	1.7869
H10	2.2078	2.7383	3.1111	1.0996	2.8342	1.7876	3.1849	1.7869	3.8389		2.6339
H11	2.2078	2.7383	3.1111	2.8342	1.0996	3.1849	1.7876	3.8389	1.7869	2.6339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.212	C1	C4	H10	110.402
C1	C5	H7	110.013	C1	C5	H9	110.212
C1	C5	H11	110.402	F2	C1	H3	108.915
F2	C1	C4	110.059	F2	C1	C5	110.059
H3	C1	C4	108.231	H3	C1	C5	108.231
C4	C1	C5	111.277	H7	C5	H9	108.726
H7	C5	H11	108.773	H8	C4	H10	108.670
H9	C5	H11	108.670

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

using model chemistry: B2PLYP=FULL/STO-3G

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

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

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