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	hartrees
Energy at 0K	-216.639356
Energy at 298.15K
HF Energy	-215.947523
Nuclear repulsion energy	115.053354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3249	3249
2	A'	3159	3159
3	A'	3145	3145
4	A'	3029	3029
5	A'	1683	1683
6	A'	1479	1479
7	A'	1437	1437
8	A'	1396	1396
9	A'	1294	1294
10	A'	1112	1112
11	A'	989	989
12	A'	906	906
13	A'	592	592
14	A'	261	261
15	A"	3077	3077
16	A"	1243	1243
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	-1.427	0.000
H5	1.988	1.732	0.000
H6	1.829	-0.139	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		1.5082	2.5327	1.4088	3.5244	2.7903	2.2079	1.1059	1.1059
C2	1.5082		1.3530	2.4074	2.1313	2.1362	1.0990	2.1676	2.1676
C3	2.5327	1.3530		2.7902	1.0947	1.0948	2.1347	3.2523	3.2523
F4	1.4088	2.4074	2.7902		3.8849	2.4651	3.3891	2.0328	2.0328
H5	3.5244	2.1313	1.0947	3.8849		1.8776	2.4735	4.1692	4.1692
H6	2.7903	2.1362	1.0948	2.4651	1.8776		3.1138	3.5496	3.5496
H7	2.2079	1.0990	2.1347	3.3891	2.4735	3.1138		2.5799	2.5799
H8	1.1059	2.1676	3.2523	2.0328	4.1692	3.5496	2.5799		1.7979
H9	1.1059	2.1676	3.2523	2.0328	4.1692	3.5496	2.5799	1.7979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.463	C1	C2	H7	114.831
C2	C1	F4	111.196	C2	C1	H8	111.099
C2	C1	H9	111.099	C2	C3	H5	120.724
C2	C3	H6	121.190	C3	C2	H7	120.706
F4	C1	H8	107.263	F4	C1	H9	107.263
H5	C3	H6	118.085

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

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

States and conformations

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