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	hartrees
Energy at 0K	-216.729379
Energy at 298.15K
HF Energy	-216.001699
Nuclear repulsion energy	116.723230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3095	5.15
2	A'	3227	3013	5.51
3	A'	3213	3000	8.23
4	A'	3099	2893	35.08
5	A'	1752	1636	2.76
6	A'	1546	1444	3.43
7	A'	1487	1388	8.07
8	A'	1469	1372	14.67
9	A'	1342	1253	0.32
10	A'	1176	1098	57.00
11	A'	1041	972	33.02
12	A'	931	869	2.27
13	A'	623	582	7.34
14	A'	276	257	2.68
15	A"	3143	2934	26.87
16	A"	1302	1216	0.06
17	A"	1073	1002	17.52
18	A"	1018	951	17.24
19	A"	882	824	40.24
20	A"	551	514	8.62
21	A"	155	145	3.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.943	-0.209	0.000
C2	0.000	0.953	0.000
C3	1.323	0.847	0.000
F4	-0.266	-1.412	0.000
H5	1.948	1.727	0.000
H6	1.810	-0.116	0.000
H7	-0.480	1.924	0.000
H8	-1.580	-0.186	0.886
H9	-1.580	-0.186	-0.886

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.4964	2.5000	1.3799	3.4794	2.7546	2.1833	1.0913	1.0913
C2	1.4964		1.3270	2.3796	2.0961	2.1018	1.0836	2.1396	2.1396
C3	2.5000	1.3270		2.7623	1.0792	1.0792	2.0997	3.2062	3.2062
F4	1.3799	2.3796	2.7623		3.8415	2.4479	3.3431	2.0033	2.0033
H5	3.4794	2.0961	1.0792	3.8415		1.8479	2.4354	4.1099	4.1099
H6	2.7546	2.1018	1.0792	2.4479	1.8479		3.0666	3.5047	3.5047
H7	2.1833	1.0836	2.0997	3.3431	2.4354	3.0666		2.5395	2.5395
H8	1.0913	2.1396	3.2062	2.0033	4.1099	3.5047	2.5395		1.7711
H9	1.0913	2.1396	3.2062	2.0033	4.1099	3.5047	2.5395	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.510	C1	C2	H7	114.666
C2	C1	F4	111.581	C2	C1	H8	110.579
C2	C1	H9	110.579	C2	C3	H5	120.834
C2	C3	H6	121.389	C3	C2	H7	120.824
F4	C1	H8	107.749	F4	C1	H9	107.749
H5	C3	H6	117.776

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

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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