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	hartrees
Energy at 0K	-218.066051
Energy at 298.15K
HF Energy	-217.220700
Nuclear repulsion energy	133.148042

Atom	x (Å)	y (Å)	z (Å)
C1	0.281	0.244	0.000
F2	-0.876	1.036	0.000
H3	1.120	0.941	0.000
C4	0.281	-0.582	1.261
C5	0.281	-0.582	-1.261
H6	1.191	-1.177	1.316
H7	1.191	-1.177	-1.316
H8	0.230	0.058	2.137
H9	0.230	0.058	-2.137
H10	-0.574	-1.254	1.265
H11	-0.574	-1.254	-1.265

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4024	1.0905	1.5074	1.5074	2.1400	2.1400	2.1456	2.1456	2.1393	2.1393
F2	1.4024		1.9984	2.3556	2.3556	3.3020	3.3020	2.5972	2.5972	2.6338	2.6338
H3	1.0905	1.9984		2.1478	2.1478	2.4942	2.4942	2.4777	2.4777	3.0478	3.0478
C4	1.5074	2.3556	2.1478		2.5212	1.0882	2.7969	1.0865	3.4577	1.0878	2.7498
C5	1.5074	2.3556	2.1478	2.5212		2.7969	1.0882	3.4577	1.0865	2.7498	1.0878
H6	2.1400	3.3020	2.4942	1.0882	2.7969		2.6329	1.7669	3.7914	1.7681	3.1284
H7	2.1400	3.3020	2.4942	2.7969	1.0882	2.6329		3.7914	1.7669	3.1284	1.7681
H8	2.1456	2.5972	2.4777	1.0865	3.4577	1.7669	3.7914		4.2738	1.7687	3.7335
H9	2.1456	2.5972	2.4777	3.4577	1.0865	3.7914	1.7669	4.2738		3.7335	1.7687
H10	2.1393	2.6338	3.0478	1.0878	2.7498	1.7681	3.1284	1.7687	3.7335		2.5296
H11	2.1393	2.6338	3.0478	2.7498	1.0878	3.1284	1.7681	3.7335	1.7687	2.5296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.566	C1	C4	H10	109.984
C1	C5	H7	110.018	C1	C5	H9	110.566
C1	C5	H11	109.984	F2	C1	H3	105.899
F2	C1	C4	108.046	F2	C1	C5	108.046
H3	C1	C4	110.504	H3	C1	C5	110.504
C4	C1	C5	113.495	H7	C5	H9	108.677
H7	C5	H11	108.692	H8	C4	H10	108.861
H9	C5	H11	108.861

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

using model chemistry: MP2/aug-cc-pVQZ

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: MP2/aug-cc-pVQZ

States and conformations

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