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	hartrees
Energy at 0K	-216.594806
Energy at 298.15K
HF Energy	-215.932762
Nuclear repulsion energy	115.665960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3274	3140
2	A'	3180	3050
3	A'	3164	3034
4	A'	3040	2916
5	A'	1704	1634
6	A'	1496	1435
7	A'	1443	1384
8	A'	1418	1360
9	A'	1297	1243
10	A'	1143	1097
11	A'	1008	967
12	A'	920	882
13	A'	603	578
14	A'	274	263
15	A"	3086	2959
16	A"	1264	1212
17	A"	1039	996
18	A"	999	958
19	A"	921	884
20	A"	549	526
21	A"	173	166

Atom	x (Å)	y (Å)	z (Å)
C1	-0.955	-0.203	0.000
C2	0.000	0.963	0.000
C3	1.343	0.831	0.000
F4	-0.273	-1.412	0.000
H5	1.999	1.709	0.000
H6	1.809	-0.161	0.000
H7	-0.469	1.958	0.000
H8	-1.606	-0.171	0.896
H9	-1.606	-0.171	-0.896

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.5072	2.5195	1.3884	3.5182	2.7636	2.2150	1.1080	1.1080
C2	1.5072		1.3496	2.3915	2.1333	2.1297	1.1001	2.1604	2.1604
C3	2.5195	1.3496		2.7647	1.0961	1.0956	2.1347	3.2406	3.2406
F4	1.3884	2.3915	2.7647		3.8607	2.4289	3.3765	2.0301	2.0301
H5	3.5182	2.1333	1.0961	3.8607		1.8798	2.4807	4.1628	4.1628
H6	2.7636	2.1297	1.0956	2.4289	1.8798		3.1115	3.5302	3.5302
H7	2.2150	1.1001	2.1347	3.3765	2.4807	3.1115		2.5742	2.5742
H8	1.1080	2.1604	3.2406	2.0301	4.1628	3.5302	2.5742		1.7917
H9	1.1080	2.1604	3.2406	2.0301	4.1628	3.5302	2.5742	1.7917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.658	C1	C2	H7	115.439
C2	C1	F4	111.296	C2	C1	H8	110.470
C2	C1	H9	110.470	C2	C3	H5	121.092
C2	C3	H6	120.792	C3	C2	H7	120.904
F4	C1	H8	108.300	F4	C1	H9	108.300
H5	C3	H6	118.115

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

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

States and conformations

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