%nprocshared=24  
%mem=100GB
#p b3lyp/genecp empiricaldispersion=gd3bj 

SP

1 1
C    2.1597973631    1.0899013748    -0.1877531639
C    3.9629282825    1.432134266    1.1080066262
C    2.9847777399    2.2720572853    1.5390533606
N    1.8765376591    2.0409421182    0.7312555381
N    3.4354389734    0.7059070178    0.042658323
C    0.5321758807    2.610291602    0.8850460169
H    0.4624827715    2.9922717854    1.9086393162
H    0.418216942    3.456576878    0.2016580806
C    -0.5511349958    1.5766056367    0.6219448186
C    -1.6965251188    1.9514439334    -0.0797250147
C    -0.4295038137    0.260906501    1.1131739574
C    -2.7186233831    1.0148287201    -0.2975566811
H    -1.7734191873    2.9509160946    -0.488247715
C    -1.4846586037    -0.6706968246    0.9435346076
H    0.3768947026    -0.019197431    1.7832138953
C    -2.6247344249    -0.3083645256    0.207681887
O    -3.5615755044    -1.2477033887    -0.1084125156
O    -3.8214855732    1.2664645134    -1.0282525465
O    -1.244799611    -1.8814962267    1.4923530471
C    -3.9897065716    2.5590789623    -1.6118590291
H    -3.179380441    2.778489051    -2.3161582806
H    -4.937732941    2.5157083771    -2.1469972769
H    -4.0367166167    3.3359084922    -0.8405446809
C    -4.8914665168    -1.0496921948    0.4028586111
H    -5.3540468759    -0.1656297608    -0.0382174742
H    -5.4497591776    -1.9432680042    0.1214105226
H    -4.871229551    -0.9559137174    1.4953381818
C    -2.3076802619    -2.7862886828    1.8355971939
H    -1.838181269    -3.533629247    2.476480908
H    -3.0908297805    -2.2663660364    2.3953698646
H    -2.7322421571    -3.2552816479    0.9484402579
C    4.0669284941    -0.4590158968    -0.5960035055
H    4.1022038704    -0.2820017949    -1.6743523905
H    5.0935641723    -0.4896252344    -0.2267573401
C    3.351832394    -1.7995693351    -0.2813541566
H    4.1130463894    -2.5863942447    -0.3759617101
H    3.0246492543    -1.8033653623    0.7644222936
C    2.2109716427    -2.176073407    -1.2017349664
H    2.4663100187    -2.2128654417    -2.2604880338
C    0.9893677045    -2.6256808645    -0.816572455
H    0.2925431989    -3.0295307596    -1.5464285682
H    0.6986918885    -2.6949204283    0.2281474155
Pd    0.8412191238    -0.0655571789    -1.0664541443
H    4.9757406256    1.2930508483    1.4519315837
H    2.982918407    3.0120445969    2.3238370753
H    1.719756877    0.2674205817    -2.2987627339

C H O N
cc-pVTZ
****
@/home/aksharma/Edmond-proj/cc-pVTZ_Pd_Basis_set.gbs/N


