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	hartrees
Energy at 0K	-633.162770
Energy at 298.15K	-633.164867
HF Energy	-632.733979
Nuclear repulsion energy	138.337068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3131	6.94
2	A'	3267	3108	2.64
3	A'	1700	1617	13.62
4	A'	1390	1322	0.79
5	A'	1299	1236	5.23
6	A'	1150	1094	84.74
7	A'	864	822	41.21
8	A'	444	422	1.81
9	A'	278	264	7.29
10	A"	979	932	65.55
11	A"	845	804	21.13
12	A"	278	264	2.79

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	1.015	-0.377
Cl3	-1.652	-0.075
F4	2.328	0.056
H5	0.134	1.558
H6	0.901	-1.453

	C1	C2	Cl3	F4	H5	H6
C1		1.3329	1.7447	2.3679	1.0798	2.1383
C2	1.3329		2.6845	1.3822	2.1261	1.0820
Cl3	1.7447	2.6845		3.9824	2.4197	2.9010
F4	2.3679	1.3822	3.9824		2.6596	2.0766
H5	1.0798	2.1261	2.4197	2.6596		3.1068
H6	2.1383	1.0820	2.9010	2.0766	3.1068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.408	C1	C2	H6	124.290
C2	C1	Cl3	120.866	C2	C1	H5	123.246
Cl3	C1	H5	115.888	F4	C2	H6	114.303

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: MP2/3-21G*

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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