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	hartrees
Energy at 0K	-216.862825
Energy at 298.15K
HF Energy	-216.006511
Nuclear repulsion energy	117.190271

Atom	x (Å)	y (Å)	z (Å)
C1	-0.940	-0.206	0.000
C2	0.000	0.947	0.000
C3	1.319	0.841	0.000
F4	-0.265	-1.404	0.000
H5	1.943	1.718	0.000
H6	1.797	-0.123	0.000
H7	-0.471	1.918	0.000
H8	-1.577	-0.184	0.883
H9	-1.577	-0.184	-0.883

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.4879	2.4904	1.3754	3.4665	2.7386	2.1757	1.0888	1.0888
C2	1.4879		1.3235	2.3664	2.0906	2.0916	1.0793	2.1321	2.1321
C3	2.4904	1.3235		2.7483	1.0762	1.0762	2.0891	3.1966	3.1966
F4	1.3754	2.3664	2.7483		3.8246	2.4279	3.3292	1.9972	1.9972
H5	3.4665	2.0906	1.0762	3.8246		1.8470	2.4222	4.0974	4.0974
H6	2.7386	2.0916	1.0762	2.4279	1.8470		3.0513	3.4880	3.4880
H7	2.1757	1.0793	2.0891	3.3292	2.4222	3.0513		2.5346	2.5346
H8	1.0888	2.1321	3.1966	1.9972	4.0974	3.4880	2.5346		1.7662
H9	1.0888	2.1321	3.1966	1.9972	4.0974	3.4880	2.5346	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.602	C1	C2	H7	114.955
C2	C1	F4	111.416	C2	C1	H8	110.722
C2	C1	H9	110.722	C2	C3	H5	120.841
C2	C3	H6	120.947	C3	C2	H7	120.444
F4	C1	H8	107.720	F4	C1	H9	107.720
H5	C3	H6	118.212

All results from a given calculation for CH₂CHCH₂F (Allyl Fluoride)

using model chemistry: MP3=FULL/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 CH2CHCH2F (Allyl Fluoride)

using model chemistry: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₂F (Allyl Fluoride)