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	hartrees
Energy at 0K	-218.108017
Energy at 298.15K
HF Energy	-217.213498
Nuclear repulsion energy	133.211453

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.244	0.000
F2	-0.865	1.040	0.000
H3	1.125	0.929	0.000
C4	0.278	-0.584	1.264
C5	0.278	-0.584	-1.264
H6	1.184	-1.183	1.319
H7	1.184	-1.183	-1.319
H8	0.232	0.059	2.138
H9	0.232	0.059	-2.138
H10	-0.582	-1.251	1.274
H11	-0.582	-1.251	-1.274

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3925	1.0894	1.5110	1.5110	2.1446	2.1446	2.1470	2.1470	2.1441	2.1441
F2	1.3925		1.9932	2.3539	2.3539	3.2989	3.2989	2.5960	2.5960	2.6365	2.6365
H3	1.0894	1.9932		2.1457	2.1457	2.4909	2.4909	2.4756	2.4756	3.0477	3.0477
C4	1.5110	2.3539	2.1457		2.5273	1.0881	2.8018	1.0866	3.4626	1.0880	2.7608
C5	1.5110	2.3539	2.1457	2.5273		2.8018	1.0881	3.4626	1.0866	2.7608	1.0880
H6	2.1446	3.2989	2.4909	1.0881	2.8018		2.6377	1.7668	3.7952	1.7682	3.1379
H7	2.1446	3.2989	2.4909	2.8018	1.0881	2.6377		3.7952	1.7668	3.1379	1.7682
H8	2.1470	2.5960	2.4756	1.0866	3.4626	1.7668	3.7952		4.2770	1.7677	3.7444
H9	2.1470	2.5960	2.4756	3.4626	1.0866	3.7952	1.7668	4.2770		3.7444	1.7677
H10	2.1441	2.6365	3.0477	1.0880	2.7608	1.7682	3.1379	1.7677	3.7444		2.5476
H11	2.1441	2.6365	3.0477	2.7608	1.0880	3.1379	1.7682	3.7444	1.7677	2.5476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.426	C1	C4	H10	110.107
C1	C5	H7	110.143	C1	C5	H9	110.426
C1	C5	H11	110.107	F2	C1	H3	106.210
F2	C1	C4	108.260	F2	C1	C5	108.260
H3	C1	C4	110.154	H3	C1	C5	110.154
C4	C1	C5	113.505	H7	C5	H9	108.673
H7	C5	H11	108.689	H8	C4	H10	108.758
H9	C5	H11	108.758

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

using model chemistry: CCSD=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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