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	hartrees
Energy at 0K	-216.508653
Energy at 298.15K
HF Energy	-215.916486
Nuclear repulsion energy	116.518571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3319	3114	6.33
2	A'	3234	3034	5.13
3	A'	3214	3016	9.18
4	A'	3095	2904	35.42
5	A'	1776	1667	1.70
6	A'	1575	1477	1.11
7	A'	1497	1404	9.21
8	A'	1473	1382	14.40
9	A'	1353	1270	0.28
10	A'	1183	1110	46.05
11	A'	1051	986	30.70
12	A'	947	889	2.41
13	A'	621	582	5.74
14	A'	285	267	3.10
15	A"	3137	2944	37.26
16	A"	1297	1217	0.07
17	A"	1087	1020	12.66
18	A"	1035	971	15.49
19	A"	952	893	39.22
20	A"	570	535	7.96
21	A"	167	157	3.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.950	-0.200	0.000
C2	0.000	0.958	0.000
C3	1.325	0.829	0.000
F4	-0.263	-1.406	0.000
H5	1.975	1.697	0.000
H6	1.796	-0.146	0.000
H7	-0.468	1.941	0.000
H8	-1.594	-0.179	0.887
H9	-1.594	-0.179	-0.887

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.4974	2.4969	1.3877	3.4862	2.7467	2.1947	1.0966	1.0966
C2	1.4974		1.3313	2.3785	2.1089	2.1086	1.0889	2.1490	2.1490
C3	2.4969	1.3313		2.7423	1.0844	1.0836	2.1095	3.2128	3.2128
F4	1.3877	2.3785	2.7423		3.8264	2.4144	3.3534	2.0160	2.0160
H5	3.4862	2.1089	1.0844	3.8264		1.8524	2.4548	4.1282	4.1282
H6	2.7467	2.1086	1.0836	2.4144	1.8524		3.0796	3.5044	3.5044
H7	2.1947	1.0889	2.1095	3.3534	2.4548	3.0796		2.5589	2.5589
H8	1.0966	2.1490	3.2128	2.0160	4.1282	3.5044	2.5589		1.7748
H9	1.0966	2.1490	3.2128	2.0160	4.1282	3.5044	2.5589	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.827	C1	C2	H7	115.200
C2	C1	F4	110.994	C2	C1	H8	110.934
C2	C1	H9	110.934	C2	C3	H5	121.288
C2	C3	H6	121.318	C3	C2	H7	120.973
F4	C1	H8	107.905	F4	C1	H9	107.905
H5	C3	H6	117.394

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

using model chemistry: MP3=FULL/6-31G*

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/6-31G*

States and conformations

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