%mem=23GB
%nprocshared=8
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  freq=noraman b97d/gen pseudo=read opt

op

0 1
 C                  0.80653000    1.23309800    2.88158000
 C                  1.74333600    1.08044400    3.92073800
 H                  2.06579700    0.08214700    4.21501900
 C                  2.27779800    2.20439900    4.57082600
 H                  3.01056400    2.07050300    5.36830200
 C                  1.87021700    3.49448800    4.19350100
 H                  2.28673200    4.37075300    4.69370300
 C                  0.92158300    3.67071800    3.17465100
 C                  0.40189900    2.53943700    2.53426900
 C                 -1.29812600    4.80145300    0.89105200
 C                 -0.52575100    3.66090400    0.63824700
 C                  0.26134500    3.52969500   -0.52947400
 C                  0.29647300    4.63599500   -1.40764600
 H                  0.91738700    4.60002500   -2.30031300
 C                 -0.45799100    5.79214800   -1.15644900
 H                 -0.40900600    6.62622700   -1.85831600
 C                 -1.26980100    5.87170300   -0.01490700
 H                 -1.86709200    6.76386200    0.18026200
 C                  0.82308400   -1.67324000    2.51275700
 C                  2.22931700   -1.81672800    2.51082700
 H                  2.86200900   -0.98814000    2.19934900
 C                  2.82336400   -3.01559700    2.92979700
 H                  3.91117800   -3.10448700    2.92905700
 C                  2.02280900   -4.09652400    3.33595300
 H                  2.48505800   -5.03219700    3.65666000
 C                  0.62447900   -3.96945800    3.31751000
 H                 -0.00720000   -4.80679200    3.62087900
 C                  0.02517500   -2.76740600    2.90619400
 H                 -1.06084600   -2.68673400    2.89201500
 C                 -1.66653800   -0.13605200    2.49674100
 C                 -2.73081100    0.11709100    1.61286500
 H                 -2.51998300    0.29804700    0.56091600
 C                 -4.05404700    0.14157700    2.08131100
 H                 -4.86842500    0.33667700    1.38164200
 C                 -4.31996300   -0.08380300    3.44221800
 H                 -5.34857500   -0.06874700    3.80886000
 C                 -3.25897500   -0.32346700    4.33433000
 H                 -3.46061800   -0.49302100    5.39412300
 C                 -1.93588400   -0.34275900    3.86652100
 H                 -1.11535900   -0.52589700    4.56279000
 C                  2.69209200    2.06914700    0.19653000
 C                  3.21226100    3.29635800    0.65106500
 H                  2.68972900    4.22800700    0.42992100
 C                  4.39779100    3.31474000    1.40175200
 H                  4.79037900    4.26531500    1.76803300
 C                  5.07544300    2.11531600    1.68380100
 H                  5.99848600    2.13518000    2.26670700
 C                  4.56334200    0.89264600    1.21943300
 H                  5.08487900   -0.04232100    1.43124200
 C                  3.36858600    0.86998800    0.48441900
 H                  2.95440400   -0.07529900    0.13354100
 C                  1.87042800    2.23379000   -2.56711400
 C                  3.25401000    2.15376500   -2.82807100
 H                  3.95746000    1.97441600   -2.01597200
 C                  3.73731000    2.29750900   -4.13956500
 H                  4.81098800    2.22898500   -4.32570400
 C                  2.84910800    2.53431200   -5.20055000
 H                  3.22716200    2.64786700   -6.21842300
 C                  1.46962200    2.63024300   -4.94586300
 H                  0.77102700    2.82383400   -5.76215100
 C                  0.98196700    2.47599700   -3.64030600
 H                 -0.08906100    2.56140200   -3.45127500
 O                 -0.58367400    2.61688700    1.55396700
 P                  0.07132900   -0.12015900    1.87306400
 P                  1.20029000    1.95965000   -0.86752700
 H                  0.59524200    4.66672000    2.87599700
 H                 -1.89938100    4.84053700    1.79991300
 Pd                 0.06347600    0.01896900   -0.50879800
 C                 -2.31715900   -1.97134500   -0.92556400
 C                 -2.80730600   -0.73096500   -1.67285900
 H                 -3.04908600   -2.21720100   -0.13446600
 H                 -2.28689000   -2.83478200   -1.62154300
 O                 -1.02206300   -1.84636100   -0.33441600
 C                 -1.91527000    0.02764200   -2.39360700
 C                 -0.49722700   -0.28012000   -2.55334200
 H                 -2.26739100    0.96771400   -2.83084500
 H                  0.02942800    0.34265700   -3.27757400
 H                 -0.26442100   -1.34426600   -2.68580600
 C                  0.30028200   -3.97303600   -1.18838300
 H                 -0.26579500   -2.94547800   -0.79857300
 C                 -0.19134500   -4.14443800   -2.58798600
 C                  0.38218400   -3.74528500   -3.74125800
 H                 -1.16354500   -4.64801200   -2.63871300
 H                 -0.11322200   -3.93562300   -4.69814300
 H                  1.35017900   -3.23825200   -3.77696500
 C                 -0.34026700   -4.86525200   -0.19304500
 O                 -1.41256600   -5.46527000   -0.32506200
 H                  0.17991600   -4.87625600    0.79563600
 C                 -4.21477100   -0.33393200   -1.50383900
 C                 -5.21227500   -1.28660700   -1.25744400
 C                 -4.60014500    1.05246100   -1.52199000
 C                 -8.29145600    0.84697500   -0.82785000
 C                 -6.56915000   -0.91852800   -1.03651700
 C                 -5.90794700    1.44219800   -1.30416000
 H                 -3.83293900    1.81419300   -1.66840200
 C                 -9.25827000   -0.12265300   -0.59191800
 H                 -8.55715000    1.90704600   -0.84145200
 C                 -7.58707300   -1.89058600   -0.79219600
 C                 -6.93449500    0.47913100   -1.05797400
 H                 -6.17188200    2.50273200   -1.30217300
 C                 -8.90169300   -1.50128400   -0.57495100
 H                -10.29623200    0.16915100   -0.41835500
 H                 -7.30945800   -2.94745900   -0.77782600
 H                 -9.67033100   -2.25465900   -0.38909100
 H                 -4.96283000   -2.34963100   -1.24891300
 C                  1.76898500   -3.69338600   -0.98903300
 C                  2.33884300   -2.52002100   -1.48771900
 C                  2.62816800   -4.62591500   -0.32409000
 C                  5.97331900   -2.91239000   -0.55955300
 C                  3.73536000   -2.26103300   -1.38891300
 C                  3.98201100   -4.37828000   -0.15785300
 H                  2.20647900   -5.55853400    0.05529000
 C                  6.51625200   -1.76528000   -1.12383700
 H                  6.60664900   -3.62014600   -0.01852600
 C                  4.32752500   -1.10008400   -1.96979100
 C                  4.58019800   -3.19609700   -0.68432700
 H                  4.61391400   -5.10182300    0.36364100
 C                  5.68658000   -0.85633700   -1.84238100
 H                  7.58417100   -1.55904300   -1.02440700
 H                  3.68620500   -0.40297000   -2.51100100
 H                  6.12506400    0.03856100   -2.28958000
 H                  1.71242100   -1.77867000   -1.98363300

C O P H 0
6-31g(d)
****
pd 0
SDD
****

pd 0
SDD







