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	hartrees
Energy at 0K	-50.851282
Energy at 298.15K	-50.853155
HF Energy	-50.557887
Nuclear repulsion energy	54.123288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3162	1.31
2	A'	3260	3151	13.65
3	A'	1626	1572	11.28
4	A'	1293	1250	1.48
5	A'	1226	1185	5.09
6	A'	1009	975	113.23
7	A'	815	788	42.28
8	A'	405	391	2.41
9	A'	251	242	10.70
10	A"	895	865	113.11
11	A"	713	689	1.76
12	A"	249	241	4.01

Atom	x (Å)	y (Å)
C1	0.000	0.499
C2	1.068	-0.374
Cl3	-1.710	-0.143
F4	2.390	0.173
H5	0.090	1.591
H6	1.063	-1.468

	C1	C2	Cl3	F4	H5	H6
C1		1.3792	1.8267	2.4123	1.0959	2.2355
C2	1.3792		2.7881	1.4307	2.1946	1.0941
Cl3	1.8267	2.7881		4.1127	2.4996	3.0737
F4	2.4123	1.4307	4.1127		2.7019	2.1105
H5	1.0959	2.1946	2.4996	2.7019		3.2098
H6	2.2355	1.0941	3.0737	2.1105	3.2098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	118.286	C1	C2	H6	128.977
C2	C1	Cl3	120.195	C2	C1	H5	124.521
Cl3	C1	H5	115.284	F4	C2	H6	112.737

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

using model chemistry: MP2/CEP-31G

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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