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	hartrees
Energy at 0K	-218.051172
Energy at 298.15K
HF Energy	-217.203692
Nuclear repulsion energy	132.747653

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.247	0.000
F2	-0.872	1.041	0.000
H3	1.128	0.937	0.000
C4	0.280	-0.585	1.267
C5	0.280	-0.585	-1.267
H6	1.191	-1.185	1.325
H7	1.191	-1.185	-1.325
H8	0.230	0.059	2.146
H9	0.230	0.059	-2.146
H10	-0.582	-1.255	1.274
H11	-0.582	-1.255	-1.274

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3993	1.0937	1.5155	1.5155	2.1527	2.1527	2.1544	2.1544	2.1500	2.1500
F2	1.3993		2.0029	2.3612	2.3612	3.3112	3.3112	2.6042	2.6042	2.6420	2.6420
H3	1.0937	2.0029		2.1544	2.1544	2.5024	2.5024	2.4863	2.4863	3.0586	3.0586
C4	1.5155	2.3612	2.1544		2.5342	1.0922	2.8124	1.0906	3.4734	1.0919	2.7660
C5	1.5155	2.3612	2.1544	2.5342		2.8124	1.0922	3.4734	1.0906	2.7660	1.0919
H6	2.1527	3.3112	2.5024	1.0922	2.8124		2.6505	1.7730	3.8103	1.7749	3.1473
H7	2.1527	3.3112	2.5024	2.8124	1.0922	2.6505		3.8103	1.7730	3.1473	1.7749
H8	2.1544	2.6042	2.4863	1.0906	3.4734	1.7730	3.8103		4.2914	1.7738	3.7528
H9	2.1544	2.6042	2.4863	3.4734	1.0906	3.8103	1.7730	4.2914		3.7528	1.7738
H10	2.1500	2.6420	3.0586	1.0919	2.7660	1.7749	3.1473	1.7738	3.7528		2.5487
H11	2.1500	2.6420	3.0586	2.7660	1.0919	3.1473	1.7749	3.7528	1.7738	2.5487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.458	C1	C4	H10	110.026
C1	C5	H7	110.228	C1	C5	H9	110.458
C1	C5	H11	110.026	F2	C1	H3	106.265
F2	C1	C4	108.140	F2	C1	C5	108.140
H3	C1	C4	110.271	H3	C1	C5	110.271
C4	C1	C5	113.454	H7	C5	H9	108.641
H7	C5	H11	108.713	H8	C4	H10	108.729
H9	C5	H11	108.729

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

using model chemistry: QCISD(T)/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(T)/cc-pVTZ

States and conformations

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