%nprocshared=24
%mem=95GB
%chk=Pd_TS_ring_MeO_TS_Calc_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_TS_ring_MeO_TS_Calc_SP

1 1
 C                  0.80530500    1.73446500   -0.60813200
 C                  1.57471400    3.72246000    0.12508200
 C                  0.36172800    3.94950100   -0.44019800
 N                 -0.09776600    2.71983200   -0.88097100
 N                  1.83082100    2.36520900    0.01431000
 C                 -1.41021200    2.49894500   -1.50329500
 H                 -2.00372700    3.40058300   -1.34250600
 H                 -1.27558800    2.36206000   -2.58155800
 C                 -2.06162300    1.28949000   -0.88493000
 C                 -2.99690700    1.38320200    0.10755500
 C                 -1.58045900    0.00733700   -1.32021500
 C                 -3.51937400    0.19655800    0.70248600
 H                 -3.32942500    2.35073000    0.46278700
 C                 -2.09659700   -1.18172600   -0.67539300
 H                 -1.47085400   -0.08220700   -2.40715300
 C                 -3.05500300   -1.09674400    0.33588900
 O                 -3.62189600   -2.13768000    0.97516000
 O                 -4.43342500    0.20479300    1.66193300
 O                 -1.63683500   -2.37410400   -1.05406500
 C                 -4.98881400    1.44209300    2.12856500
 H                 -5.48387100    1.97660000    1.31197900
 H                 -5.72147000    1.15794600    2.88224600
 H                 -4.21373100    2.06827900    2.58220900
 C                 -2.79943100   -3.24408200    1.38836300
 H                 -1.86204800   -2.88423600    1.82660500
 H                 -3.38539600   -3.76343900    2.14715700
 H                 -2.58599200   -3.91066600    0.55196500
 C                 -0.30707200   -2.36539600   -1.66314800
 H                 -0.04907700   -3.42814000   -1.71237200
 H                 -0.37466200   -2.04787600   -2.71014000
 H                  0.82335200   -2.32854000   -0.78818100
 C                  3.02241400    1.72586500    0.59989700
 H                  3.47980600    1.10473700   -0.16763400
 H                  3.71222400    2.53513000    0.85295100
 C                  2.67893200    0.89210500    1.83384100
 H                  2.18531800    1.52554000    2.58234200
 H                  1.95566400    0.11956000    1.54639400
 C                  3.92652200    0.23599700    2.43466100
 H                  4.48835200   -0.26644300    1.63654700
 H                  4.59189100    1.01261400    2.83386900
 C                  3.58326000   -0.77327300    3.53253300
 H                  2.96296600   -1.58681800    3.13638800
 H                  4.48794500   -1.21706800    3.95981000
 H                  3.02725400   -0.29805600    4.34886700
 Pd                 0.52959500   -0.22398900   -1.05146800
 C                  2.82272100   -1.89546400   -0.52784700
 O                  2.60284900   -0.72413600   -0.97322300
 O                  1.89503500   -2.71987200   -0.24113300
 C                  4.24854000   -2.34191500   -0.33667700
 H                  4.43403700   -3.21928900   -0.96429000
 H                  4.94818300   -1.54720300   -0.59563200
 H                  4.39379500   -2.64985700    0.70338000
 H                  2.27690500    4.39688500    0.58883500
 H                 -0.20229900    4.85885700   -0.57429100

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


















