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	hartrees
Energy at 0K	-218.115751
Energy at 298.15K
HF Energy	-217.203922
Nuclear repulsion energy	133.178455

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.245	0.000
F2	-0.875	1.034	0.000
H3	1.123	0.936	0.000
C4	0.282	-0.582	1.262
C5	0.282	-0.582	-1.262
H6	1.187	-1.183	1.318
H7	1.187	-1.183	-1.318
H8	0.234	0.060	2.137
H9	0.234	0.060	-2.137
H10	-0.580	-1.246	1.267
H11	-0.580	-1.246	-1.267

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3999	1.0888	1.5086	1.5086	2.1443	2.1443	2.1456	2.1456	2.1379	2.1379
F2	1.3999		2.0004	2.3539	2.3539	3.3024	3.3024	2.5970	2.5970	2.6249	2.6249
H3	1.0888	2.0004		2.1457	2.1457	2.4967	2.4967	2.4750	2.4750	3.0442	3.0442
C4	1.5086	2.3539	2.1457		2.5235	1.0884	2.7996	1.0866	3.4593	1.0881	2.7525
C5	1.5086	2.3539	2.1457	2.5235		2.7996	1.0884	3.4593	1.0866	2.7525	1.0881
H6	2.1443	3.3024	2.4967	1.0884	2.7996		2.6365	1.7680	3.7940	1.7690	3.1317
H7	2.1443	3.3024	2.4967	2.7996	1.0884	2.6365		3.7940	1.7680	3.1317	1.7690
H8	2.1456	2.5970	2.4750	1.0866	3.4593	1.7680	3.7940		4.2742	1.7681	3.7354
H9	2.1456	2.5970	2.4750	3.4593	1.0866	3.7940	1.7680	4.2742		3.7354	1.7681
H10	2.1379	2.6249	3.0442	1.0881	2.7525	1.7690	3.1317	1.7681	3.7354		2.5331
H11	2.1379	2.6249	3.0442	2.7525	1.0881	3.1317	1.7690	3.7354	1.7681	2.5331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.480	C1	C4	H10	109.773
C1	C5	H7	110.268	C1	C5	H9	110.480
C1	C5	H11	109.773	F2	C1	H3	106.314
F2	C1	C4	107.996	F2	C1	C5	107.996
H3	C1	C4	110.353	H3	C1	C5	110.353
C4	C1	C5	113.517	H7	C5	H9	108.756
H7	C5	H11	108.734	H8	C4	H10	108.788
H9	C5	H11	108.788

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

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