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	hartrees
Energy at 0K	-216.600861
Energy at 298.15K
HF Energy	-215.935795
Nuclear repulsion energy	115.794626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3313	3313
2	A'	3219	3219
3	A'	3201	3201
4	A'	3095	3095
5	A'	1717	1717
6	A'	1543	1543
7	A'	1480	1480
8	A'	1437	1437
9	A'	1328	1328
10	A'	1135	1135
11	A'	1014	1014
12	A'	921	921
13	A'	604	604
14	A'	268	268
15	A"	3146	3146
16	A"	1266	1266
17	A"	1057	1057
18	A"	1001	1001
19	A"	913	913
20	A"	545	545
21	A"	147	147

Atom	x (Å)	y (Å)	z (Å)
C1	-0.957	-0.195	0.000
C2	0.000	0.960	0.000
C3	1.337	0.840	0.000
F4	-0.268	-1.421	0.000
H5	1.972	1.716	0.000
H6	1.815	-0.130	0.000
H7	-0.469	1.940	0.000
H8	-1.592	-0.185	0.889
H9	-1.592	-0.185	-0.889

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.4996	2.5166	1.4063	3.4970	2.7727	2.1899	1.0927	1.0927
C2	1.4996		1.3426	2.3960	2.1120	2.1173	1.0867	2.1531	2.1531
C3	2.5166	1.3426		2.7730	1.0818	1.0815	2.1150	3.2282	3.2282
F4	1.4063	2.3960	2.7730		3.8548	2.4509	3.3671	2.0174	2.0174
H5	3.4970	2.1120	1.0818	3.8548		1.8528	2.4514	4.1359	4.1359
H6	2.7727	2.1173	1.0815	2.4509	1.8528		3.0828	3.5215	3.5215
H7	2.1899	1.0867	2.1150	3.3671	2.4514	3.0828		2.5628	2.5628
H8	1.0927	2.1531	3.2282	2.0174	4.1359	3.5215	2.5628		1.7785
H9	1.0927	2.1531	3.2282	2.0174	4.1359	3.5215	2.5628	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.522	C1	C2	H7	114.779
C2	C1	F4	111.040	C2	C1	H8	111.345
C2	C1	H9	111.345	C2	C3	H5	120.803
C2	C3	H6	121.347	C3	C2	H7	120.700
F4	C1	H8	106.989	F4	C1	H9	106.989
H5	C3	H6	117.850

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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)=FULL/6-31+G**

States and conformations

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