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	hartrees
Energy at 0K	-218.022144
Energy at 298.15K
HF Energy	-217.204025
Nuclear repulsion energy	133.046677

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.246	0.000
F2	-0.866	1.040	0.000
H3	1.128	0.932	0.000
C4	0.278	-0.584	1.265
C5	0.278	-0.584	-1.265
H6	1.185	-1.187	1.322
H7	1.185	-1.187	-1.322
H8	0.232	0.059	2.143
H9	0.232	0.059	-2.143
H10	-0.585	-1.251	1.276
H11	-0.585	-1.251	-1.276

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3924	1.0920	1.5134	1.5134	2.1500	2.1500	2.1516	2.1516	2.1476	2.1476
F2	1.3924		1.9965	2.3552	2.3552	3.3032	3.3032	2.6002	2.6002	2.6372	2.6372
H3	1.0920	1.9965		2.1498	2.1498	2.4979	2.4979	2.4813	2.4813	3.0535	3.0535
C4	1.5134	2.3552	2.1498		2.5308	1.0903	2.8071	1.0888	3.4688	1.0902	2.7651
C5	1.5134	2.3552	2.1498	2.5308		2.8071	1.0903	3.4688	1.0888	2.7651	1.0902
H6	2.1500	3.3032	2.4979	1.0903	2.8071		2.6438	1.7700	3.8032	1.7712	3.1436
H7	2.1500	3.3032	2.4979	2.8071	1.0903	2.6438		3.8032	1.7700	3.1436	1.7712
H8	2.1516	2.6002	2.4813	1.0888	3.4688	1.7700	3.8032		4.2860	1.7705	3.7510
H9	2.1516	2.6002	2.4813	3.4688	1.0888	3.8032	1.7700	4.2860		3.7510	1.7705
H10	2.1476	2.6372	3.0535	1.0902	2.7651	1.7712	3.1436	1.7705	3.7510		2.5513
H11	2.1476	2.6372	3.0535	2.7651	1.0902	3.1436	1.7712	3.7510	1.7705	2.5513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.489	C1	C4	H10	110.085
C1	C5	H7	110.269	C1	C5	H9	110.489
C1	C5	H11	110.085	F2	C1	H3	106.324
F2	C1	C4	108.223	F2	C1	C5	108.223
H3	C1	C4	110.157	H3	C1	C5	110.157
C4	C1	C5	113.467	H7	C5	H9	108.631
H7	C5	H11	108.633	H8	C4	H10	108.684
H9	C5	H11	108.684

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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