%mem=43GB
%nprocshared=20
#p IOP(1/8=4) scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt=(ts,calcfc,noeigen,nomicro) freq=noraman

opt

0 1
 C                  3.06398600    0.18708900    0.17885500
 C                  4.24719500    0.36367400   -0.56589900
 H                  4.48649900   -0.32817900   -1.37252900
 C                  5.11860600    1.42900600   -0.29163000
 H                  6.02403500    1.55412000   -0.88783100
 C                  4.82274900    2.32608200    0.74701000
 H                  5.49448700    3.15802800    0.96622300
 C                  3.66293000    2.15773800    1.51731100
 C                  2.79698100    1.09410500    1.22691200
 C                  1.13239800    2.38518300    3.74655900
 C                  0.95289100    1.97153000    2.42100600
 C                  0.09618100    2.65534200    1.52801700
 C                 -0.48777600    3.85519600    1.99227000
 H                 -1.11204600    4.44555900    1.32357600
 C                 -0.29339000    4.29975400    3.30898400
 H                 -0.76287700    5.22842900    3.63742900
 C                  0.49309900    3.54976000    4.19770700
 H                  0.63309300    3.88041800    5.22823700
 C                  2.51950200   -2.11753400   -1.50519700
 C                  2.70237100   -1.49276900   -2.76013300
 H                  2.52238900   -0.42295400   -2.86675500
 C                  3.11472300   -2.23901000   -3.87226500
 H                  3.25915900   -1.73987700   -4.83270300
 C                  3.33017600   -3.62354900   -3.75322800
 H                  3.64107600   -4.20695800   -4.62213100
 C                  3.14037300   -4.25229400   -2.51235300
 H                  3.30279000   -5.32734400   -2.41105800
 C                  2.73991800   -3.50532600   -1.39146100
 H                  2.59069900   -4.00807500   -0.43653800
 C                  1.95836500   -2.15085100    1.38087200
 C                  0.84126100   -2.31989800    2.22018900
 H                 -0.11001200   -1.86129000    1.94884600
 C                  0.95945200   -3.05623900    3.40989000
 H                  0.08747500   -3.17975800    4.05377000
 C                  2.19390900   -3.62346000    3.76771100
 H                  2.28509900   -4.19675200    4.69272700
 C                  3.31611500   -3.44472800    2.93900600
 H                  4.27992300   -3.87549700    3.21830100
 C                  3.20178200   -2.70486200    1.75226400
 H                  4.07609000   -2.55866800    1.11531900
 C                  1.01897900    2.59679100   -1.25307700
 C                  1.74964700    3.76276200   -0.95472100
 H                  1.56666900    4.29804100   -0.02182600
 C                  2.72811100    4.22580600   -1.84898200
 H                  3.30155600    5.12247600   -1.60502800
 C                  2.97247800    3.53778000   -3.04992000
 H                  3.73580100    3.90029400   -3.74139100
 C                  2.23764000    2.37977000   -3.35654200
 H                  2.42534700    1.83727200   -4.28548300
 C                  1.26991100    1.90660200   -2.45731800
 H                  0.71503600    0.99038600   -2.67356100
 C                 -1.81744900    2.78200100   -0.67302000
 C                 -2.00008900    3.06839700   -2.04407200
 H                 -1.19239100    2.88627300   -2.75451300
 C                 -3.21766900    3.59112400   -2.50762700
 H                 -3.33858100    3.80632200   -3.57138000
 C                 -4.26850800    3.84690600   -1.61084600
 H                 -5.21226800    4.25926900   -1.97277000
 C                 -4.09672800    3.56392100   -0.24625400
 H                 -4.90718800    3.74949400    0.46135000
 C                 -2.88819400    3.02281600    0.21838300
 H                 -2.78640200    2.78548500    1.27665000
 O                  1.65113900    0.84812600    1.98338300
 P                  1.80239300   -1.12060700   -0.13952400
 P                 -0.27466600    1.91247600   -0.13059200
 H                  3.42848800    2.84524200    2.32944200
 H                  1.79147000    1.80879200    4.39672200
 Pd                -0.37055900   -0.44071300   -0.49358500
 C                 -4.11079400   -0.03012200   -0.51759800
 C                 -3.06533700   -1.09395900   -0.18243000
 H                 -4.74235200    0.15219200    0.36794300
 H                 -3.61661400    0.90576900   -0.80231100
 O                 -4.90614900   -0.40424100   -1.64132300
 C                 -2.22714000   -1.48393900   -1.24543800
 C                 -1.08566900   -2.36616100   -1.29808600
 H                 -2.52625300   -1.05889500   -2.20961500
 C                 -2.85188200   -1.39226900    1.26653800
 C                 -3.09807700   -2.66078300    1.82768400
 C                 -2.42729300   -0.34512300    2.11525000
 C                 -2.88494400   -2.88437400    3.19728300
 H                 -3.45797300   -3.46057100    1.18458300
 C                 -2.20888300   -0.56980700    3.48240600
 H                 -2.24857300    0.64096700    1.69072000
 C                 -2.43465500   -1.84432400    4.02888100
 H                 -3.07268500   -3.87578100    3.61526800
 H                 -1.85940200    0.25004800    4.11369500
 H                 -2.26571300   -2.02531000    5.09228000
 C                 -0.59600400   -2.64973300   -2.71506100
 H                  0.42926500   -3.04030600   -2.71375500
 H                 -1.24431900   -3.42226500   -3.17349800
 H                 -0.63629200   -1.75180800   -3.35117400
 C                 -0.87103500   -3.55752700   -0.38155100
 H                  0.17254500   -3.89941500   -0.45785900
 H                 -1.09219800   -3.34915600    0.66696400
 H                 -1.51795100   -4.39243200   -0.71498800
 C                 -5.38722900   -1.75476100   -1.52918600
 O                 -4.92633600   -2.39323000   -0.52539900
 O                 -6.16803100   -2.11355500   -2.42006700

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

pd 0
SDD






