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	hartrees
Energy at 0K	-215.170844
Energy at 298.15K
HF Energy	-214.736098
Nuclear repulsion energy	115.268113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3237	3168
2	A'	3158	3091
3	A'	3140	3073
4	A'	3020	2956
5	A'	1683	1647
6	A'	1589	1556
7	A'	1496	1465
8	A'	1434	1404
9	A'	1346	1317
10	A'	1127	1103
11	A'	1022	1001
12	A'	885	866
13	A'	603	590
14	A'	303	296
15	A"	3050	2986
16	A"	1268	1241
17	A"	1086	1063
18	A"	1023	1002
19	A"	957	937
20	A"	576	564
21	A"	187	183

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.990	0.000
C2	-0.974	0.178	0.000
C3	-0.542	1.449	0.000
F4	1.347	-0.496	0.000
H5	-1.224	2.297	0.000
H6	0.525	1.661	0.000
H7	-2.034	-0.083	0.000
H8	-0.148	-1.617	0.893
H9	-0.148	-1.617	-0.893

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.5207	2.4981	1.4351	3.5070	2.7021	2.2269	1.1007	1.1007
C2	1.5207		1.3425	2.4173	2.1336	2.1087	1.0912	2.1678	2.1678
C3	2.4981	1.3425		2.7111	1.0880	1.0877	2.1383	3.2169	3.2169
F4	1.4351	2.4173	2.7111		3.7956	2.3078	3.4063	2.0710	2.0710
H5	3.5070	2.1336	1.0880	3.7956		1.8605	2.5140	4.1555	4.1555
H6	2.7021	2.1087	1.0877	2.3078	1.8605		3.0964	3.4626	3.4626
H7	2.2269	1.0912	2.1383	3.4063	2.5140	3.0964		2.5896	2.5896
H8	1.1007	2.1678	3.2169	2.0710	4.1555	3.4626	2.5896		1.7856
H9	1.1007	2.1678	3.2169	2.0710	4.1555	3.4626	2.5896	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.373	C1	C2	H7	116.018
C2	C1	F4	109.695	C2	C1	H8	110.554
C2	C1	H9	110.554	C2	C3	H5	122.425
C2	C3	H6	120.022	C3	C2	H7	122.609
F4	C1	H8	108.792	F4	C1	H9	108.792
H5	C3	H6	117.553

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

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

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