%mem=10000MB
%nprocshared=12
#p opt freq b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym)

imnpri2-nico3

0 1
 C                  0.67993800    0.00104700    1.23909300
 C                 -0.67994500    0.00104700    1.23909500
 C                 -0.00000300   -0.00058300   -0.95034400
 N                 -1.06910100    0.00029200   -0.09677500
 N                  1.06910200   -0.00011600   -0.09676000
 C                 -2.47053900   -0.00014900   -0.55117700
 H                 -2.40335300   -0.00008100   -1.64292500
 C                  2.47054800   -0.00049300   -0.55117300
 H                  2.40334600   -0.00150900   -1.64292100
 C                 -3.19236500    1.27329300   -0.09414300
 H                 -3.27092700    1.31455700    0.99884200
 H                 -2.65860300    2.16674800   -0.43641100
 C                  3.19193400   -1.27376000   -0.09295000
 H                  3.27027100   -1.31406300    1.00009000
 H                  2.65794200   -2.16734500   -0.43451900
 H                 -4.20732900    1.29506000   -0.50613700
 H                  4.20696300   -1.29622200   -0.50474600
 C                 -3.19141000   -1.27413700   -0.09412500
 H                 -3.26961400   -1.31545400    0.99889000
 H                 -4.20645300   -1.29664300   -0.50588600
 H                 -2.65706000   -2.16718000   -0.43655400
 C                  3.19184400    1.27367500   -0.09532100
 H                  3.27030800    1.31595600    0.99763600
 H                  4.20681300    1.29550200   -0.50729900
 H                  2.65770400    2.16658000   -0.43843000
 H                  1.38034400    0.00161600    2.06069800
 H                 -1.38036300    0.00160400    2.06068800

-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



