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	hartrees
Energy at 0K	-218.024531
Energy at 298.15K
HF Energy	-217.213526
Nuclear repulsion energy	133.171340

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.246	0.000
F2	-0.862	1.042	0.000
H3	1.127	0.928	0.000
C4	0.276	-0.585	1.265
C5	0.276	-0.585	-1.265
H6	1.183	-1.185	1.319
H7	1.183	-1.185	-1.319
H8	0.231	0.057	2.141
H9	0.231	0.057	-2.141
H10	-0.584	-1.252	1.274
H11	-0.584	-1.252	-1.274

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3890	1.0900	1.5135	1.5135	2.1475	2.1475	2.1502	2.1502	2.1468	2.1468
F2	1.3890		1.9923	2.3542	2.3542	3.2989	3.2989	2.5982	2.5982	2.6383	2.6383
H3	1.0900	1.9923		2.1477	2.1477	2.4923	2.4923	2.4794	2.4794	3.0502	3.0502
C4	1.5135	2.3542	2.1477		2.5296	1.0886	2.8035	1.0872	3.4663	1.0887	2.7628
C5	1.5135	2.3542	2.1477	2.5296		2.8035	1.0886	3.4663	1.0872	2.7628	1.0887
H6	2.1475	3.2989	2.4923	1.0886	2.8035		2.6386	1.7677	3.7980	1.7688	3.1391
H7	2.1475	3.2989	2.4923	2.8035	1.0886	2.6386		3.7980	1.7677	3.1391	1.7688
H8	2.1502	2.5982	2.4794	1.0872	3.4663	1.7677	3.7980		4.2826	1.7684	3.7474
H9	2.1502	2.5982	2.4794	3.4663	1.0872	3.7980	1.7677	4.2826		3.7474	1.7684
H10	2.1468	2.6383	3.0502	1.0887	2.7628	1.7688	3.1391	1.7684	3.7474		2.5489
H11	2.1468	2.6383	3.0502	2.7628	1.0887	3.1391	1.7688	3.7474	1.7684	2.5489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.460	C1	C4	H10	110.106
C1	C5	H7	110.166	C1	C5	H9	110.460
C1	C5	H11	110.106	F2	C1	H3	106.338
F2	C1	C4	108.326	F2	C1	C5	108.326
H3	C1	C4	110.102	H3	C1	C5	110.102
C4	C1	C5	113.371	H7	C5	H9	108.669
H7	C5	H11	108.662	H8	C4	H10	108.731
H9	C5	H11	108.731

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

using model chemistry: MP3/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: MP3/Def2TZVPP

States and conformations

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