%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)

Optimization of the AuPH3-H2eta1                           

1 1
 Au                -0.85887414   -0.00674216   -0.00046781
 P                 -3.16177838   -0.01824538    0.00103699
 H                 -3.73073695   -1.30117787   -0.02245040
 H                 -3.74543363    0.59712016    1.11937132
 H                 -3.74374106    0.63634202   -1.09583919
 H                  1            B5    4            A4    5            D3    0
 H                  6            B6    1            A5    4            D4    0

B5   2.0000
A4  155.65135
D3   144.04837 
B6   0.75
A5    179.000 -1 
D4    -72.64843

-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






