%mem=10000mb
%nproc=12
#p b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym) scrf=pcm

pyc4nh-pdhph32_aq

1 1
 Pd	 1.075498000	-0.000441000	 0.016824000
 P	 1.406764000	-2.284884000	 0.016721000
 H	 2.149567000	-2.811575000	-1.057556000
 H	 2.139043000	-2.813344000	 1.097334000
 H	 0.315349000	-3.180285000	 0.010660000
 P	 1.407700000	 2.283856000	 0.019999000
 H	 2.150817000	 2.811811000	-1.053440000
 H	 0.316638000	 3.179695000	 0.015130000
 H	 2.140080000	 2.810454000	 1.101452000
 C	-1.028164000	 0.000067000	 0.006691000
 C	-1.797836000	-0.000573000	 1.200839000
 C	-1.786460000	 0.001030000	-1.194706000
 C	-3.178956000	-0.000195000	 1.182768000
 C	-3.167691000	 0.001382000	-1.189749000
 H	-3.798332000	-0.000648000	 2.073280000
 N	-3.832847000	 0.000766000	-0.006623000
 H	-3.778580000	 0.002114000	-2.086104000
 H	-4.848352000	 0.001026000	-0.011445000
 H	 2.682130000	-0.000794000	 0.024609000
 H	-1.310787000	-0.001386000	 2.171740000
 H	-1.290212000	 0.001507000	-2.160938000

-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


