%nprocshared=24
%mem=105GB
%chk=Pd_TS_ring4_bz_TS_Calc_1_2_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_TS_ring4_bz_TS_Calc_1_2_SP

1 1
 C                 -2.07474300   -0.88059200   -0.93742200
 C                 -1.92744800   -2.93240200   -1.80957100
 C                 -0.73391200   -2.31870000   -2.04034100
 N                 -0.85769000   -1.04831800   -1.48669000
 N                 -2.74351300   -2.03081200   -1.12000100
 C                  0.07718200    0.06538600   -1.37984600
 H                  0.13227700    0.62041200   -2.31827200
 H                 -0.25953500    1.20160000   -0.62748800
 C                  1.36932900   -0.25214000   -0.78720600
 C                  2.47129200    0.57613700   -1.08180100
 C                  1.51575600   -1.29642400    0.14398600
 C                  3.71151800    0.34409000   -0.50741500
 H                  2.32704800    1.42237200   -1.74015900
 C                  2.74990600   -1.56281500    0.70909800
 H                  0.67960300   -1.92485400    0.42757300
 C                  3.88572600   -0.76993300    0.36950400
 O                  5.02832100   -1.14851900    0.94558100
 O                  4.80288900    1.11821700   -0.72014300
 O                  2.86886400   -2.64292400    1.52359800
 C                  4.66108600    2.27735700   -1.53944500
 H                  3.90867100    2.95855600   -1.12563000
 H                  5.63844200    2.75936000   -1.53697200
 H                  4.38928300    2.00251900   -2.56545800
 C                  6.33670600   -0.74471300    0.49686400
 H                  6.53946400    0.28983300    0.77323100
 H                  7.01802400   -1.42079100    1.01339600
 H                  6.42758800   -0.86846600   -0.58374000
 C                  3.23256400   -2.39756300    2.89316800
 H                  3.18323900   -3.36890700    3.38616100
 H                  4.24267300   -1.99104300    2.97074100
 H                  2.51460000   -1.71144000    3.35814800
 C                 -4.14047000   -2.27648300   -0.72161600
 H                 -4.79658500   -1.80523800   -1.46177000
 H                 -4.28584500   -3.35681600   -0.79085500
 C                 -4.48737000   -1.79828100    0.69542600
 H                 -5.38981600   -2.34850900    0.99094200
 H                 -3.69660200   -2.10887500    1.38893100
 C                 -4.79525600   -0.30657600    0.86979800
 H                 -3.87623900    0.31100500    0.67348800
 H                 -5.51837800    0.02229200    0.11371700
 C                 -5.27626500    0.04524700    2.27561700
 H                 -4.53749100   -0.24568600    3.03025200
 H                 -5.45680700    1.11965600    2.37169900
 H                 -6.21327300   -0.47702100    2.50144700
 Pd                -2.11480600    0.87067400   -0.06373600
 C                 -0.65146600    3.19059400    0.45476900
 O                 -1.81599800    2.74668700    0.74438300
 O                  0.20449300    2.54411500   -0.21709700
 C                 -0.31405800    4.58323500    0.93105700
 H                  0.76459800    4.74350200    0.91525900
 H                 -0.79131300    5.30693700    0.26035100
 H                 -0.71503500    4.74666400    1.93380300
 H                 -2.27280200   -3.91895300   -2.07651000
 H                  0.16469100   -2.66835700   -2.52192800

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















