%nprocshared=35
%mem=125GB
%chk=Pd_prdt_ring4_NHC_AcOH_1_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring4_NHC_AcOH_1_SP

1 1
 C                 -0.83778900    1.99504000   -0.00887500
 C                 -2.49351500    3.49551700    0.24919000
 C                 -1.43667100    4.11346600   -0.36128900
 H                 -3.45547800    3.87857800    0.55097400
 H                 -1.31082400    5.14003600   -0.66880200
 N                 -2.06963700    2.19111900    0.46367600
 N                 -0.41930900    3.16629700   -0.52294200
 C                  0.90696300    3.35992600   -1.16304000
 H                  0.74481500    3.59035000   -2.22016100
 H                  1.39389600    4.21633800   -0.68887000
 C                  1.68230800    2.08306100   -0.96883900
 C                  1.36670000    0.98302800   -1.76799900
 C                  2.45371800    1.90746400    0.18413000
 C                  1.73667200   -0.29758900   -1.34807800
 C                  2.87716900    0.63457700    0.58225600
 H                  2.68770200    2.76858900    0.79868200
 C                  2.46628300   -0.50130400   -0.16067000
 O                  2.78927900   -1.78096000    0.14006300
 O                  1.35766400   -1.39072800   -2.10858800
 O                  3.66063200    0.38518300    1.65576800
 C                  2.42627300   -1.98118900   -2.89131400
 H                  3.21474800   -2.35411100   -2.23394300
 H                  1.97000400   -2.80208100   -3.44498300
 H                  2.82073500   -1.23356300   -3.58504400
 C                  2.65169200   -2.24031500    1.49797400
 H                  2.58108400   -3.32645600    1.42430500
 H                  3.51542000   -1.95400400    2.09719600
 H                  1.73681600   -1.83552200    1.94374700
 C                  4.07041200    1.48188100    2.47088500
 H                  4.69576000    1.04958100    3.25155900
 H                  4.65451700    2.20525000    1.89076400
 H                  3.20536300    1.97951100    2.92526000
 C                 -2.51780300    0.83435200    0.84462000
 H                 -2.53136800    0.71451600    1.92953000
 Pd                -0.68049000    0.04681400    0.17882300
 C                 -3.76131300    0.35512000    0.13744700
 H                 -3.63377100    0.45455800   -0.94733600
 H                 -4.58777500    1.03225700    0.41555300
 C                 -4.15317500   -1.08146800    0.50157600
 H                 -4.24960900   -1.16255100    1.59266600
 C                 -5.45985200   -1.51075500   -0.16923300
 H                 -5.37741400   -1.46506500   -1.26164900
 H                 -5.72317200   -2.53767900    0.10329100
 H                 -6.29207700   -0.86303100    0.12963800
 H                 -3.34150000   -1.75794800    0.21355500
 H                  0.76473200    1.08278200   -2.66489000
 C                 -0.58405900   -3.17523000    0.23533200
 O                 -0.87667900   -2.04818000    0.65838700
 O                  0.23011700   -3.41143900   -0.76628100
 H                  0.61068600   -2.58121300   -1.17365100
 C                 -1.17282700   -4.41448100    0.84410900
 H                 -0.41571000   -5.19780900    0.92849700
 H                 -1.60577200   -4.18444600    1.81760400
 H                 -1.96189700   -4.78985400    0.18162000

C H O N
cc-pVTZ
****
@/home/eapaloo/electrocyreact/cc-pVTZ_Pd_Basis_set.gbs/N




















