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	hartrees
Energy at 0K	-216.836035
Energy at 298.15K
HF Energy	-216.003640
Nuclear repulsion energy	117.331941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3079	3.99
2	A'	3237	3019	4.63
3	A'	3216	3000	6.49
4	A'	3100	2891	31.73
5	A'	1763	1644	3.64
6	A'	1545	1441	3.41
7	A'	1486	1386	8.53
8	A'	1464	1365	10.55
9	A'	1342	1252	0.36
10	A'	1191	1111	61.82
11	A'	1046	976	25.05
12	A'	941	877	1.25
13	A'	624	582	6.72
14	A'	273	255	2.29
15	A"	3127	2917	23.73
16	A"	1315	1227	0.17
17	A"	1085	1012	16.88
18	A"	1046	976	8.22
19	A"	994	927	41.55
20	A"	584	545	8.85
21	A"	184	171	2.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.939	-0.208	0.000
C2	0.000	0.947	0.000
C3	1.319	0.840	0.000
F4	-0.266	-1.403	0.000
H5	1.944	1.714	0.000
H6	1.795	-0.123	0.000
H7	-0.472	1.915	0.000
H8	-1.576	-0.180	0.880
H9	-1.576	-0.180	-0.880

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.4886	2.4891	1.3705	3.4650	2.7349	2.1742	1.0868	1.0868
C2	1.4886		1.3232	2.3649	2.0900	2.0896	1.0769	2.1276	2.1276
C3	2.4891	1.3232		2.7468	1.0746	1.0743	2.0884	3.1928	3.1928
F4	1.3705	2.3649	2.7468		3.8213	2.4266	3.3242	1.9962	1.9962
H5	3.4650	2.0900	1.0746	3.8213		1.8430	2.4241	4.0927	4.0927
H6	2.7349	2.0896	1.0743	2.4266	1.8430		3.0481	3.4842	3.4842
H7	2.1742	1.0769	2.0884	3.3242	2.4241	3.0481		2.5261	2.5261
H8	1.0868	2.1276	3.1928	1.9962	4.0927	3.4842	2.5261		1.7599
H9	1.0868	2.1276	3.1928	1.9962	4.0927	3.4842	2.5261	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.461	C1	C2	H7	114.934
C2	C1	F4	111.546	C2	C1	H8	110.435
C2	C1	H9	110.435	C2	C3	H5	120.952
C2	C3	H6	120.935	C3	C2	H7	120.605
F4	C1	H8	108.095	F4	C1	H9	108.095
H5	C3	H6	118.113

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

using model chemistry: MP3=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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