%mem=3200MB
%nprocshared=12
#p freq=noraman b3lyp/genecp nosymm 5d 7f
empiricaldispersion=gd3 scrf=(pcm,solvent=water)

cro3-H2eta1_vacuum_aq

0 1
 Cr	-0.969544000	 0.022291000	 0.000010000
 O	-1.268381000	-1.532095000	 0.000004000
 O	-1.344272000	 0.781396000	 1.331675000
 O	-1.344140000	 0.781517000	-1.331638000
 H	 0.940549000	 0.076597000	-0.000421000
 H	 1.683774000	 0.110669000	 0.000535000

-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
*******************

-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


