%chk=aq-nipr2.chk
%mem=6400mb
%nproc=4
#p b3lyp/genecp 5d 7f empiricaldispersion=gd3
pop=(NBO,saveNBOs) scf=(maxcyc=1000,conver=8,nosym) scrf=pcm

of-water-

0 1
 C                  0.00005900   -1.86221600   -0.00010000
 C                  0.68166000   -0.62830000    0.00008100
 C                 -0.68171400   -0.62835700   -0.00017200
 N                  1.87978200   -0.01899700    0.00156000
 N                 -1.87980200   -0.01899600   -0.00162000
 C                  3.10443700   -0.85568300    0.00997000
 H                  3.94378900   -0.15249800    0.01417400
 C                  1.99456600    1.44865900   -0.00875100
 H                  0.96434700    1.81417000   -0.02256300
 C                 -1.99451500    1.44869200    0.00881300
 H                 -0.96426900    1.81411600    0.02255400
 C                 -3.10449600   -0.85561200   -0.01011500
 H                 -3.94382200   -0.15239900   -0.01458100
 C                 -3.18913600   -1.70637500   -1.28533900
 H                 -3.14362400   -1.07231600   -2.17837600
 H                 -2.36188700   -2.42162300   -1.32412500
 H                 -4.13302400   -2.26490800   -1.30464900
 C                 -3.20456600   -1.70987200    1.26171700
 H                 -2.37644900   -2.42361500    1.30919600
 H                 -3.17187600   -1.07817000    2.15696000
 H                 -4.14754900   -2.27025900    1.26736500
 C                 -2.66134000    1.98084800   -1.26928700
 H                 -3.70482100    1.65337300   -1.34692400
 H                 -2.65767600    3.07755000   -1.27237100
 H                 -2.12636100    1.62797300   -2.15770400
 C                 -2.68645400    1.96137800    1.28160300
 H                 -3.73224000    1.63605300    1.33228200
 H                 -2.17086800    1.59268800    2.17502700
 H                 -2.67982800    3.05784200    1.30246300
 C                  2.68666700    1.96140800   -1.28144000
 H                  2.68015300    3.05787000   -1.30221800
 H                  3.73242900    1.63598000   -1.33204400
 H                  2.17113500    1.59283000   -2.17494300
 C                  2.66129500    1.98075200    1.26944300
 H                  3.70477400    1.65327900    1.34714700
 H                  2.65763100    3.07744800    1.27260100
 H                  2.12625200    1.62781700    2.15780200
 C                  3.18929900   -1.70624300    1.28530900
 H                  4.13317800   -2.26480600    1.30452300
 H                  3.14400400   -1.07202800    2.17824400
 H                  2.36204000   -2.42145800    1.32440400
 C                  3.20423800   -1.71009900   -1.26176700
 H                  4.14717700   -2.27056800   -1.26749500
 H                  2.37605400   -2.42377700   -1.30905700
 H                  3.17147700   -1.07849000   -2.15707000

-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


