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	hartrees
Energy at 0K	-216.636779
Energy at 298.15K
HF Energy	-215.946228
Nuclear repulsion energy	114.933991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3275	3200
2	A'	3188	3114
3	A'	3167	3093
4	A'	3044	2973
5	A'	1720	1680
6	A'	1555	1520
7	A'	1474	1440
8	A'	1447	1413
9	A'	1329	1298
10	A'	1147	1121
11	A'	1025	1001
12	A'	930	909
13	A'	607	593
14	A'	281	274
15	A"	3088	3016
16	A"	1269	1240
17	A"	1071	1046
18	A"	1013	990
19	A"	920	899
20	A"	559	546
21	A"	165	161

Atom	x (Å)	y (Å)	z (Å)
C1	-0.962	-0.195	0.000
C2	0.000	0.966	0.000
C3	1.347	0.844	0.000
F4	-0.271	-1.430	0.000
H5	1.989	1.731	0.000
H6	1.826	-0.141	0.000
H7	-0.474	1.958	0.000
H8	-1.605	-0.183	0.900
H9	-1.605	-0.183	-0.900

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.5072	2.5321	1.4153	3.5239	2.7886	2.2074	1.1062	1.1062
C2	1.5072		1.3527	2.4112	2.1313	2.1350	1.1000	2.1689	2.1689
C3	2.5321	1.3527		2.7916	1.0950	1.0949	2.1351	3.2526	3.2526
F4	1.4153	2.4112	2.7916		3.8866	2.4624	3.3944	2.0359	2.0359
H5	3.5239	2.1313	1.0950	3.8866		1.8790	2.4736	4.1700	4.1700
H6	2.7886	2.1350	1.0949	2.4624	1.8790		3.1138	3.5474	3.5474
H7	2.2074	1.1000	2.1351	3.3944	2.4736	3.1138		2.5828	2.5828
H8	1.1062	2.1689	3.2526	2.0359	4.1700	3.5474	2.5828		1.7999
H9	1.1062	2.1689	3.2526	2.0359	4.1700	3.5474	2.5828	1.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.504	C1	C2	H7	114.804
C2	C1	F4	111.145	C2	C1	H8	111.253
C2	C1	H9	111.253	C2	C3	H5	120.722
C2	C3	H6	121.088	C3	C2	H7	120.692
F4	C1	H8	107.053	F4	C1	H9	107.053
H5	C3	H6	118.190

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

using model chemistry: MP4/aug-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/aug-cc-pVDZ

States and conformations

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