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	hartrees
Energy at 0K	-218.040866
Energy at 298.15K
HF Energy	-217.206749
Nuclear repulsion energy	132.819030

Atom	x (Å)	y (Å)	z (Å)
C1	0.281	0.245	0.000
F2	-0.874	1.037	0.000
H3	1.122	0.942	0.000
C4	0.281	-0.583	1.267
C5	0.281	-0.583	-1.267
H6	1.193	-1.180	1.325
H7	1.193	-1.180	-1.325
H8	0.231	0.062	2.144
H9	0.231	0.062	-2.144
H10	-0.578	-1.256	1.276
H11	-0.578	-1.256	-1.276

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4009	1.0927	1.5136	1.5136	2.1487	2.1487	2.1522	2.1522	2.1486	2.1486
F2	1.4009		1.9991	2.3592	2.3592	3.3082	3.3082	2.6015	2.6015	2.6402	2.6402
H3	1.0927	1.9991		2.1539	2.1539	2.5026	2.5026	2.4831	2.4831	3.0575	3.0575
C4	1.5136	2.3592	2.1539		2.5341	1.0914	2.8115	1.0898	3.4718	1.0912	2.7668
C5	1.5136	2.3592	2.1539	2.5341		2.8115	1.0914	3.4718	1.0898	2.7668	1.0912
H6	2.1487	3.3082	2.5026	1.0914	2.8115		2.6491	1.7721	3.8078	1.7734	3.1469
H7	2.1487	3.3082	2.5026	2.8115	1.0914	2.6491		3.8078	1.7721	3.1469	1.7734
H8	2.1522	2.6015	2.4831	1.0898	3.4718	1.7721	3.8078		4.2878	1.7732	3.7527
H9	2.1522	2.6015	2.4831	3.4718	1.0898	3.8078	1.7721	4.2878		3.7527	1.7732
H10	2.1486	2.6402	3.0575	1.0912	2.7668	1.7734	3.1469	1.7732	3.7527		2.5510
H11	2.1486	2.6402	3.0575	2.7668	1.0912	3.1469	1.7734	3.7527	1.7732	2.5510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.466	C1	C4	H10	110.093
C1	C5	H7	110.083	C1	C5	H9	110.466
C1	C5	H11	110.093	F2	C1	H3	105.924
F2	C1	C4	108.023	F2	C1	C5	108.023
H3	C1	C4	110.422	H3	C1	C5	110.422
C4	C1	C5	113.671	H7	C5	H9	108.674
H7	C5	H11	108.688	H8	C4	H10	108.792
H9	C5	H11	108.792

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVTZ

States and conformations

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