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	hartrees
Energy at 0K	-216.593509
Energy at 298.15K
HF Energy	-215.932799
Nuclear repulsion energy	115.680071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3284	3170
2	A'	3188	3077
3	A'	3172	3061
4	A'	3045	2939
5	A'	1703	1644
6	A'	1496	1444
7	A'	1444	1393
8	A'	1417	1368
9	A'	1297	1252
10	A'	1141	1101
11	A'	1007	972
12	A'	921	889
13	A'	603	582
14	A'	274	264
15	A"	3093	2985
16	A"	1263	1219
17	A"	1040	1004
18	A"	1006	971
19	A"	924	892
20	A"	551	532
21	A"	175	169

Atom	x (Å)	y (Å)	z (Å)
C1	-0.954	-0.202	0.000
C2	0.000	0.964	0.000
C3	1.342	0.830	0.000
F4	-0.273	-1.413	0.000
H5	1.998	1.708	0.000
H6	1.806	-0.162	0.000
H7	-0.469	1.959	0.000
H8	-1.606	-0.169	0.896
H9	-1.606	-0.169	-0.896

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.5062	2.5178	1.3895	3.5162	2.7608	2.2144	1.1079	1.1079
C2	1.5062		1.3490	2.3920	2.1324	2.1282	1.0998	2.1593	2.1593
C3	2.5178	1.3490		2.7640	1.0956	1.0951	2.1338	3.2390	3.2390
F4	1.3895	2.3920	2.7640		3.8595	2.4264	3.3771	2.0312	2.0312
H5	3.5162	2.1324	1.0956	3.8595		1.8794	2.4796	4.1608	4.1608
H6	2.7608	2.1282	1.0951	2.4264	1.8794		3.1099	3.5275	3.5275
H7	2.2144	1.0998	2.1338	3.3771	2.4796	3.1099		2.5733	2.5733
H8	1.1079	2.1593	3.2390	2.0312	4.1608	3.5275	2.5733		1.7912
H9	1.1079	2.1593	3.2390	2.0312	4.1608	3.5275	2.5733	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.631	C1	C2	H7	115.480
C2	C1	F4	111.325	C2	C1	H8	110.456
C2	C1	H9	110.456	C2	C3	H5	121.100
C2	C3	H6	120.736	C3	C2	H7	120.889
F4	C1	H8	108.314	F4	C1	H9	108.314
H5	C3	H6	118.163

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

using model chemistry: MP4=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: MP4=FULL/cc-pVDZ

States and conformations

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