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	hartrees
Energy at 0K	-216.640059
Energy at 298.15K
HF Energy	-215.947461
Nuclear repulsion energy	115.030175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3249	3249
2	A'	3158	3158
3	A'	3144	3144
4	A'	3028	3028
5	A'	1682	1682
6	A'	1478	1478
7	A'	1436	1436
8	A'	1395	1395
9	A'	1293	1293
10	A'	1111	1111
11	A'	988	988
12	A'	905	905
13	A'	591	591
14	A'	259	259
15	A"	3076	3076
16	A"	1242	1242
17	A"	1027	1027
18	A"	987	987
19	A"	938	938
20	A"	546	546
21	A"	165	165

Atom	x (Å)	y (Å)	z (Å)
C1	-0.961	-0.198	0.000
C2	0.000	0.965	0.000
C3	1.348	0.844	0.000
F4	-0.273	-1.428	0.000
H5	1.989	1.731	0.000
H6	1.829	-0.140	0.000
H7	-0.475	1.956	0.000
H8	-1.605	-0.182	0.899
H9	-1.605	-0.182	-0.899

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.5083	2.5329	1.4097	3.5246	2.7903	2.2080	1.1060	1.1060
C2	1.5083		1.3531	2.4080	2.1315	2.1363	1.0991	2.1680	2.1680
C3	2.5329	1.3531		2.7903	1.0948	1.0949	2.1349	3.2526	3.2526
F4	1.4097	2.4080	2.7903		3.8851	2.4647	3.3899	2.0333	2.0333
H5	3.5246	2.1315	1.0948	3.8851		1.8778	2.4738	4.1696	4.1696
H6	2.7903	2.1363	1.0949	2.4647	1.8778		3.1141	3.5496	3.5496
H7	2.2080	1.0991	2.1349	3.3899	2.4738	3.1141		2.5805	2.5805
H8	1.1060	2.1680	3.2526	2.0333	4.1696	3.5496	2.5805		1.7983
H9	1.1060	2.1680	3.2526	2.0333	4.1696	3.5496	2.5805	1.7983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.459	C1	C2	H7	114.829
C2	C1	F4	111.182	C2	C1	H8	111.120
C2	C1	H9	111.120	C2	C3	H5	120.724
C2	C3	H6	121.183	C3	C2	H7	120.712
F4	C1	H8	107.237	F4	C1	H9	107.237
H5	C3	H6	118.093

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

using model chemistry: QCISD(T)/daug-cc-pVDZ

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: QCISD(T)/daug-cc-pVDZ

States and conformations

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