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	hartrees
Energy at 0K	-217.926134
Energy at 298.15K	-217.933979
HF Energy	-217.139020
Nuclear repulsion energy	132.784484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3168	3168
2	A'	3164	3164
3	A'	3077	3077
4	A'	3064	3064
5	A'	1531	1531
6	A'	1511	1511
7	A'	1433	1433
8	A'	1406	1406
9	A'	1211	1211
10	A'	1184	1184
11	A'	986	986
12	A'	839	839
13	A'	473	473
14	A'	346	346
15	A'	262	262
16	A"	3166	3166
17	A"	3157	3157
18	A"	3074	3074
19	A"	1507	1507
20	A"	1500	1500
21	A"	1430	1430
22	A"	1387	1387
23	A"	1176	1176
24	A"	949	949
25	A"	930	930
26	A"	402	402
27	A"	216	216

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.251	0.000
F2	-0.867	1.036	0.000
H3	1.135	0.937	0.000
C4	0.278	-0.584	1.270
C5	0.278	-0.584	-1.270
H6	1.188	-1.188	1.331
H7	1.188	-1.188	-1.331
H8	0.228	0.063	2.150
H9	0.228	0.063	-2.150
H10	-0.587	-1.253	1.278
H11	-0.587	-1.253	-1.278

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3887	1.0976	1.5200	1.5200	2.1611	2.1611	2.1584	2.1584	2.1549	2.1549
F2	1.3887		2.0050	2.3557	2.3557	3.3080	3.3080	2.6015	2.6015	2.6363	2.6363
H3	1.0976	2.0050		2.1587	2.1587	2.5079	2.5079	2.4916	2.4916	3.0650	3.0650
C4	1.5200	2.3557	2.1587		2.5403	1.0938	2.8212	1.0927	3.4807	1.0939	2.7729
C5	1.5200	2.3557	2.1587	2.5403		2.8212	1.0938	3.4807	1.0927	2.7729	1.0939
H6	2.1611	3.3080	2.5079	1.0938	2.8212		2.6623	1.7764	3.8212	1.7773	3.1565
H7	2.1611	3.3080	2.5079	2.8212	1.0938	2.6623		3.8212	1.7764	3.1565	1.7773
H8	2.1584	2.6015	2.4916	1.0927	3.4807	1.7764	3.8212		4.2992	1.7762	3.7607
H9	2.1584	2.6015	2.4916	3.4807	1.0927	3.8212	1.7764	4.2992		3.7607	1.7762
H10	2.1549	2.6363	3.0650	1.0939	2.7729	1.7773	3.1565	1.7762	3.7607		2.5559
H11	2.1549	2.6363	3.0650	2.7729	1.0939	3.1565	1.7773	3.7607	1.7762	2.5559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.339	C1	C4	H10	109.990
C1	C5	H7	110.487	C1	C5	H9	110.339
C1	C5	H11	109.990	F2	C1	H3	106.913
F2	C1	C4	108.090	F2	C1	C5	108.090
H3	C1	C4	110.070	H3	C1	C5	110.070
C4	C1	C5	113.364	H7	C5	H9	108.668
H7	C5	H11	108.663	H8	C4	H10	108.644
H9	C5	H11	108.644

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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: CCSD(T)/6-31G(2df,p)

States and conformations

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