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	hartrees
Energy at 0K	-215.164413
Energy at 298.15K
HF Energy	-214.736052
Nuclear repulsion energy	115.250702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3236	3138
2	A'	3158	3062
3	A'	3139	3045
4	A'	3019	2928
5	A'	1682	1631
6	A'	1589	1541
7	A'	1496	1451
8	A'	1434	1391
9	A'	1346	1305
10	A'	1127	1093
11	A'	1022	991
12	A'	885	858
13	A'	602	584
14	A'	303	294
15	A"	3050	2958
16	A"	1268	1230
17	A"	1086	1053
18	A"	1023	992
19	A"	956	927
20	A"	575	558
21	A"	187	181

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	1.348	-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		1.5209	2.4986	1.4354	3.5075	2.7025	2.2272	1.1008	1.1008
C2	1.5209		1.3427	2.4177	2.1339	2.1090	1.0914	2.1681	2.1681
C3	2.4986	1.3427		2.7115	1.0881	1.0878	2.1386	3.2173	3.2173
F4	1.4354	2.4177	2.7115		3.7962	2.3083	3.4068	2.0712	2.0712
H5	3.5075	2.1339	1.0881	3.7962		1.8608	2.5143	4.1560	4.1560
H6	2.7025	2.1090	1.0878	2.3083	1.8608		3.0968	3.4631	3.4631
H7	2.2272	1.0914	2.1386	3.4068	2.5143	3.0968		2.5899	2.5899
H8	1.1008	2.1681	3.2173	2.0712	4.1560	3.4631	2.5899		1.7858
H9	1.1008	2.1681	3.2173	2.0712	4.1560	3.4631	2.5899	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.376	C1	C2	H7	116.013
C2	C1	F4	109.695	C2	C1	H8	110.553
C2	C1	H9	110.553	C2	C3	H5	122.421
C2	C3	H6	120.022	C3	C2	H7	122.611
F4	C1	H8	108.790	F4	C1	H9	108.790
H5	C3	H6	117.556

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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