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	hartrees
Energy at 0K	-218.008959
Energy at 298.15K
HF Energy	-217.200081
Nuclear repulsion energy	133.043833

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.246	0.000
F2	-0.865	1.038	0.000
H3	1.125	0.936	0.000
C4	0.277	-0.584	1.267
C5	0.277	-0.584	-1.267
H6	1.188	-1.181	1.325
H7	1.188	-1.181	-1.325
H8	0.228	0.061	2.144
H9	0.228	0.061	-2.144
H10	-0.582	-1.255	1.277
H11	-0.582	-1.255	-1.277

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3906	1.0931	1.5143	1.5143	2.1499	2.1499	2.1522	2.1522	2.1498	2.1498
F2	1.3906		1.9931	2.3540	2.3540	3.3013	3.3013	2.5972	2.5972	2.6401	2.6401
H3	1.0931	1.9931		2.1522	2.1522	2.4984	2.4984	2.4832	2.4832	3.0568	3.0568
C4	1.5143	2.3540	2.1522		2.5338	1.0907	2.8118	1.0892	3.4712	1.0905	2.7678
C5	1.5143	2.3540	2.1522	2.5338		2.8118	1.0907	3.4712	1.0892	2.7678	1.0905
H6	2.1499	3.3013	2.4984	1.0907	2.8118		2.6509	1.7702	3.8077	1.7719	3.1480
H7	2.1499	3.3013	2.4984	2.8118	1.0907	2.6509		3.8077	1.7702	3.1480	1.7719
H8	2.1522	2.5972	2.4832	1.0892	3.4712	1.7702	3.8077		4.2873	1.7713	3.7534
H9	2.1522	2.5972	2.4832	3.4712	1.0892	3.8077	1.7702	4.2873		3.7534	1.7713
H10	2.1498	2.6401	3.0568	1.0905	2.7678	1.7719	3.1480	1.7713	3.7534		2.5541
H11	2.1498	2.6401	3.0568	2.7678	1.0905	3.1480	1.7719	3.7534	1.7713	2.5541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.455	C1	C4	H10	110.181
C1	C5	H7	110.185	C1	C5	H9	110.455
C1	C5	H11	110.181	F2	C1	H3	106.123
F2	C1	C4	108.190	F2	C1	C5	108.190
H3	C1	C4	110.224	H3	C1	C5	110.224
C4	C1	C5	113.575	H7	C5	H9	108.604
H7	C5	H11	108.656	H8	C4	H10	108.710
H9	C5	H11	108.710

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

using model chemistry: CCD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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