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	hartrees
Energy at 0K	-218.072132
Energy at 298.15K
HF Energy	-217.206188
Nuclear repulsion energy	132.435938

Atom	x (Å)	y (Å)	z (Å)
C1	0.285	0.245	0.000
F2	-0.884	1.038	0.000
H3	1.122	0.950	0.000
C4	0.285	-0.584	1.269
C5	0.285	-0.584	-1.269
H6	1.200	-1.179	1.327
H7	1.200	-1.179	-1.327
H8	0.230	0.062	2.146
H9	0.230	0.062	-2.146
H10	-0.574	-1.260	1.274
H11	-0.574	-1.260	-1.274

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4124	1.0945	1.5153	1.5153	2.1506	2.1506	2.1547	2.1547	2.1501	2.1501
F2	1.4124		2.0078	2.3676	2.3676	3.3193	3.3193	2.6077	2.6077	2.6454	2.6454
H3	1.0945	2.0078		2.1592	2.1592	2.5093	2.5093	2.4876	2.4876	3.0626	3.0626
C4	1.5153	2.3676	2.1592		2.5373	1.0931	2.8161	1.0912	3.4760	1.0927	2.7672
C5	1.5153	2.3676	2.1592	2.5373		2.8161	1.0931	3.4760	1.0912	2.7672	1.0927
H6	2.1506	3.3193	2.5093	1.0931	2.8161		2.6546	1.7750	3.8139	1.7766	3.1494
H7	2.1506	3.3193	2.5093	2.8161	1.0931	2.6546		3.8139	1.7750	3.1494	1.7766
H8	2.1547	2.6077	2.4876	1.0912	3.4760	1.7750	3.8139		4.2926	1.7767	3.7539
H9	2.1547	2.6077	2.4876	3.4760	1.0912	3.8139	1.7750	4.2926		3.7539	1.7767
H10	2.1501	2.6454	3.0626	1.0927	2.7672	1.7766	3.1494	1.7767	3.7539		2.5474
H11	2.1501	2.6454	3.0626	2.7672	1.0927	3.1494	1.7766	3.7539	1.7767	2.5474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.456	C1	C4	H10	110.006
C1	C5	H7	110.020	C1	C5	H9	110.456
C1	C5	H11	110.006	F2	C1	H3	105.733
F2	C1	C4	107.887	F2	C1	C5	107.887
H3	C1	C4	110.622	H3	C1	C5	110.622
C4	C1	C5	113.701	H7	C5	H9	108.696
H7	C5	H11	108.739	H8	C4	H10	108.883
H9	C5	H11	108.883

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

using model chemistry: MP4/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: MP4/aug-cc-pVTZ

States and conformations

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