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	hartrees
Energy at 0K	-216.896476
Energy at 298.15K
HF Energy	-216.012217
Nuclear repulsion energy	116.497140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3259	3259
2	A'	3173	3173
3	A'	3158	3158
4	A'	3042	3042
5	A'	1694	1694
6	A'	1509	1509
7	A'	1457	1457
8	A'	1426	1426
9	A'	1314	1314
10	A'	1139	1139
11	A'	1011	1011
12	A'	916	916
13	A'	607	607
14	A'	266	266
15	A"	3085	3085
16	A"	1277	1277
17	A"	1051	1051
18	A"	1017	1017
19	A"	940	940
20	A"	560	560
21	A"	173	173

Atom	x (Å)	y (Å)	z (Å)
C1	-0.947	-0.202	0.000
C2	0.000	0.955	0.000
C3	1.330	0.840	0.000
F4	-0.269	-1.412	0.000
H5	1.962	1.715	0.000
H6	1.803	-0.131	0.000
H7	-0.470	1.931	0.000
H8	-1.585	-0.178	0.885
H9	-1.585	-0.178	-0.885

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.4951	2.5036	1.3868	3.4835	2.7504	2.1866	1.0914	1.0914
C2	1.4951		1.3346	2.3824	2.1037	2.1043	1.0837	2.1395	2.1395
C3	2.5036	1.3346		2.7619	1.0796	1.0796	2.1046	3.2113	3.2113
F4	1.3868	2.3824	2.7619		3.8414	2.4362	3.3499	2.0096	2.0096
H5	3.4835	2.1037	1.0796	3.8414		1.8525	2.4408	4.1161	4.1161
H6	2.7504	2.1043	1.0796	2.4362	1.8525		3.0685	3.5015	3.5015
H7	2.1866	1.0837	2.1046	3.3499	2.4408	3.0685		2.5448	2.5448
H8	1.0914	2.1395	3.2113	2.0096	4.1161	3.5015	2.5448		1.7704
H9	1.0914	2.1395	3.2113	2.0096	4.1161	3.5015	2.5448	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.342	C1	C2	H7	115.033
C2	C1	F4	111.461	C2	C1	H8	110.651
C2	C1	H9	110.651	C2	C3	H5	120.882
C2	C3	H6	120.935	C3	C2	H7	120.624
F4	C1	H8	107.777	F4	C1	H9	107.777
H5	C3	H6	118.184

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

using model chemistry: MP4=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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