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	hartrees
Energy at 0K	-216.647272
Energy at 298.15K
HF Energy	-215.946510
Nuclear repulsion energy	115.036058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3265	3184
2	A'	3171	3092
3	A'	3157	3078
4	A'	3042	2967
5	A'	1685	1643
6	A'	1480	1443
7	A'	1438	1403
8	A'	1393	1359
9	A'	1294	1262
10	A'	1104	1076
11	A'	983	958
12	A'	905	882
13	A'	589	575
14	A'	261	255
15	A"	3094	3017
16	A"	1240	1210
17	A"	1027	1002
18	A"	989	965
19	A"	928	905
20	A"	547	533
21	A"	168	163

Atom	x (Å)	y (Å)	z (Å)
C1	-0.961	-0.195	0.000
C2	0.000	0.964	0.000
C3	1.346	0.844	0.000
F4	-0.272	-1.429	0.000
H5	1.987	1.730	0.000
H6	1.825	-0.140	0.000
H7	-0.474	1.956	0.000
H8	-1.603	-0.182	0.899
H9	-1.603	-0.182	-0.899

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.5057	2.5300	1.4138	3.5209	2.7866	2.2051	1.1052	1.1052
C2	1.5057		1.3517	2.4091	2.1296	2.1334	1.0989	2.1665	2.1665
C3	2.5300	1.3517		2.7899	1.0941	1.0940	2.1332	3.2497	3.2497
F4	1.4138	2.4091	2.7899		3.8839	2.4615	3.3912	2.0342	2.0342
H5	3.5209	2.1296	1.0941	3.8839		1.8773	2.4715	4.1662	4.1662
H6	2.7866	2.1334	1.0940	2.4615	1.8773		3.1112	3.5449	3.5449
H7	2.2051	1.0989	2.1332	3.3912	2.4715	3.1112		2.5796	2.5796
H8	1.1052	2.1665	3.2497	2.0342	4.1662	3.5449	2.5796		1.7983
H9	1.1052	2.1665	3.2497	2.0342	4.1662	3.5449	2.5796	1.7983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.522	C1	C2	H7	114.794
C2	C1	F4	111.174	C2	C1	H8	111.228
C2	C1	H9	111.228	C2	C3	H5	120.727
C2	C3	H6	121.096	C3	C2	H7	120.683
F4	C1	H8	107.072	F4	C1	H9	107.072
H5	C3	H6	118.177

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

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

States and conformations

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