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	hartrees
Energy at 0K	-218.034354
Energy at 298.15K
HF Energy	-217.206932
Nuclear repulsion energy	132.968170

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.246	0.000
F2	-0.869	1.038	0.000
H3	1.124	0.938	0.000
C4	0.279	-0.584	1.266
C5	0.279	-0.584	-1.266
H6	1.189	-1.182	1.323
H7	1.189	-1.182	-1.323
H8	0.231	0.061	2.143
H9	0.231	0.061	-2.143
H10	-0.581	-1.254	1.276
H11	-0.581	-1.254	-1.276

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3953	1.0922	1.5137	1.5137	2.1486	2.1486	2.1517	2.1517	2.1483	2.1483
F2	1.3953		1.9959	2.3563	2.3563	3.3040	3.3040	2.5997	2.5997	2.6385	2.6385
H3	1.0922	1.9959		2.1521	2.1521	2.4997	2.4997	2.4820	2.4820	3.0557	3.0557
C4	1.5137	2.3563	2.1521		2.5328	1.0907	2.8090	1.0892	3.4703	1.0906	2.7662
C5	1.5137	2.3563	2.1521	2.5328		2.8090	1.0907	3.4703	1.0892	2.7662	1.0906
H6	2.1486	3.3040	2.4997	1.0907	2.8090		2.6457	1.7710	3.8049	1.7723	3.1451
H7	2.1486	3.3040	2.4997	2.8090	1.0907	2.6457		3.8049	1.7710	3.1451	1.7723
H8	2.1517	2.5997	2.4820	1.0892	3.4703	1.7710	3.8049		4.2865	1.7719	3.7519
H9	2.1517	2.5997	2.4820	3.4703	1.0892	3.8049	1.7710	4.2865		3.7519	1.7719
H10	2.1483	2.6385	3.0557	1.0906	2.7662	1.7723	3.1451	1.7719	3.7519		2.5515
H11	2.1483	2.6385	3.0557	2.7662	1.0906	3.1451	1.7723	3.7519	1.7719	2.5515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.457	C1	C4	H10	110.103
C1	C5	H7	110.121	C1	C5	H9	110.457
C1	C5	H11	110.103	F2	C1	H3	106.074
F2	C1	C4	108.124	F2	C1	C5	108.124
H3	C1	C4	110.308	H3	C1	C5	110.308
C4	C1	C5	113.577	H7	C5	H9	108.669
H7	C5	H11	108.684	H8	C4	H10	108.762
H9	C5	H11	108.762

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

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

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