%mem=3200MB
%nprocshared=4
#p opt=(z-matrix,maxcycles=500) freq=noraman b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

BOptimization of the FeCl2+-H2eta1                   

1 6 
 Fe                -0.01738818    0.00463360   -0.02991019
 Cl                 0.45705985    1.06251884    1.79089568
 Cl                -0.44753895    1.00133306   -1.89571560
 H                  1            B3    2            A2    3            D1    0
 H                  4            B4    1            A3    3            D2    0
 
B3   2.0000
A2  124.02516
D1   -171.70810
B4   0.75 
A3   178.000 -1 
D2   -172.50959 

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
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-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd














