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

cunh33-H2eta1_vacuum_aq

2 2
 Cu	 0.023118000	 0.197368000	 2.323397000
 N	 2.009056000	 0.164857000	 2.096875000
 N	-1.915697000	 0.626194000	 2.092151000
 N	-0.066020000	-0.540303000	 4.228247000
 H	 2.534311000	 0.443739000	 2.934087000
 H	 2.324774000	 0.802801000	 1.353778000
 H	 2.370701000	-0.760612000	 1.831744000
 H	-2.364238000	 1.018574000	 2.928474000
 H	-2.481260000	-0.190077000	 1.824915000
 H	-2.073030000	 1.320497000	 1.349160000
 H	 0.019487000	 0.199920000	 4.936020000
 H	 0.679005000	-1.217964000	 4.427225000
 H	-0.947916000	-1.027679000	 4.424728000
 H	 0.006064000	 0.030964000	 0.164246000
 H	 0.001673000	-0.013789000	-0.585987000

-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


