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	hartrees
Energy at 0K	-217.872967
Energy at 298.15K	-217.880757
HF Energy	-217.147017
Nuclear repulsion energy	131.161168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3160	3087
2	A'	3153	3080
3	A'	3067	2997
4	A'	3059	2988
5	A'	1554	1518
6	A'	1537	1501
7	A'	1461	1427
8	A'	1410	1377
9	A'	1234	1205
10	A'	1183	1155
11	A'	981	958
12	A'	843	824
13	A'	480	469
14	A'	354	346
15	A'	272	265
16	A"	3157	3084
17	A"	3146	3074
18	A"	3064	2993
19	A"	1532	1496
20	A"	1526	1491
21	A"	1460	1426
22	A"	1414	1382
23	A"	1196	1168
24	A"	970	947
25	A"	949	927
26	A"	405	396
27	A"	230	225

Atom	x (Å)	y (Å)	z (Å)
C1	0.289	0.243	0.000
F2	-0.899	1.045	0.000
H3	1.129	0.964	0.000
C4	0.289	-0.587	1.279
C5	0.289	-0.587	-1.279
H6	1.218	-1.185	1.339
H7	1.218	-1.185	-1.339
H8	0.234	0.068	2.165
H9	0.234	0.068	-2.165
H10	-0.576	-1.273	1.287
H11	-0.576	-1.273	-1.287

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4332	1.1062	1.5248	1.5248	2.1664	2.1664	2.1727	2.1727	2.1689	2.1689
F2	1.4332		2.0289	2.3895	2.3895	3.3528	3.3528	2.6312	2.6312	2.6707	2.6707
H3	1.1062	2.0289		2.1784	2.1784	2.5332	2.5332	2.5080	2.5080	3.0929	3.0929
C4	1.5248	2.3895	2.1784		2.5583	1.1056	2.8417	1.1031	3.5063	1.1047	2.7934
C5	1.5248	2.3895	2.1784	2.5583		2.8417	1.1056	3.5063	1.1031	2.7934	1.1047
H6	2.1664	3.3528	2.5332	1.1056	2.8417		2.6787	1.7940	3.8493	1.7967	3.1813
H7	2.1664	3.3528	2.5332	2.8417	1.1056	2.6787		3.8493	1.7940	3.1813	1.7967
H8	2.1727	2.6312	2.5080	1.1031	3.5063	1.7940	3.8493		4.3299	1.7965	3.7906
H9	2.1727	2.6312	2.5080	3.5063	1.1031	3.8493	1.7940	4.3299		3.7906	1.7965
H10	2.1689	2.6707	3.0929	1.1047	2.7934	1.7967	3.1813	1.7965	3.7906		2.5730
H11	2.1689	2.6707	3.0929	2.7934	1.1047	3.1813	1.7967	3.7906	1.7965	2.5730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.512	C1	C4	H10	110.111
C1	C5	H7	109.869	C1	C5	H9	110.512
C1	C5	H11	110.111	F2	C1	H3	105.340
F2	C1	C4	107.723	F2	C1	C5	107.723
H3	C1	C4	110.771	H3	C1	C5	110.771
C4	C1	C5	114.044	H7	C5	H9	108.634
H7	C5	H11	108.753	H8	C4	H10	108.920
H9	C5	H11	108.920

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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