%mem=73GB
%nprocshared=24
#p freq=noraman scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt=(ts,calcfc,noeigen,nomicro) IOP(1/8=4)

op

0 1
 C                 -0.61241200    0.02628100    2.73255800
 C                  0.06491400   -0.50177800    3.84860600
 H                  0.36174400   -1.55002600    3.85301900
 C                  0.37822200    0.31555400    4.94490600
 H                  0.91270000   -0.10572800    5.79771100
 C                  0.00929400    1.67120000    4.93971400
 H                  0.24835900    2.30928800    5.79230500
 C                 -0.66087900    2.21842000    3.83669000
 C                 -0.95640500    1.39076700    2.74526100
 C                 -2.07056600    4.19796400    1.40737600
 C                 -1.23798600    3.10335300    1.14439000
 C                 -0.03125400    3.23374600    0.41268500
 C                  0.34916900    4.54521300    0.04513600
 H                  1.28845000    4.70856800   -0.47902900
 C                 -0.46230000    5.65399000    0.32914600
 H                 -0.13365500    6.64931500    0.02610200
 C                 -1.68876300    5.48033200    0.98724100
 H                 -2.33401300    6.33532300    1.19549900
 C                 -0.24919400   -2.56339500    1.45011800
 C                  0.81046900   -2.93396100    0.60164400
 H                  1.11822200   -2.26059000   -0.19799800
 C                  1.44435600   -4.17564100    0.76408100
 H                  2.26621400   -4.44964300    0.10167200
 C                  1.01558400   -5.05638400    1.77096300
 H                  1.50809000   -6.02283100    1.89722800
 C                 -0.05446600   -4.69823700    2.61085600
 H                 -0.39577600   -5.38479500    3.38830500
 C                 -0.68917000   -3.45727800    2.45009400
 H                 -1.52247900   -3.18072000    3.09835900
 C                 -2.83250500   -1.30248800    1.44273600
 C                 -3.42127700   -2.23632400    0.56304100
 H                 -2.81638400   -2.70667900   -0.21266800
 C                 -4.78160500   -2.55241900    0.67893300
 H                 -5.22864300   -3.27043000   -0.01075100
 C                 -5.57187500   -1.93234700    1.66195600
 H                 -6.63552400   -2.16629200    1.73663700
 C                 -4.98951500   -1.00372600    2.53939600
 H                 -5.59531000   -0.51988000    3.30845300
 C                 -3.62458000   -0.69061300    2.43499800
 H                 -3.18452400    0.02282800    3.13152300
 C                  2.03802000    1.28574000    1.27268000
 C                  2.37584000    2.19422600    2.29379600
 H                  1.93472800    3.19170600    2.30605100
 C                  3.27535300    1.80873700    3.30002200
 H                  3.52578700    2.51142100    4.09721600
 C                  3.84799400    0.52505600    3.28355800
 H                  4.55057300    0.22967500    4.06528400
 C                  3.51863600   -0.37771400    2.25928300
 H                  3.96914100   -1.36998600    2.23068900
 C                  2.61620100    0.00157800    1.25571300
 H                  2.37328300   -0.69078300    0.45202900
 C                  2.14792800    2.49047100   -1.34355400
 C                  3.53982400    2.37364800   -1.15760400
 H                  3.94065500    1.85861500   -0.28679300
 C                  4.42901900    2.91360700   -2.10118000
 H                  5.50380100    2.80520900   -1.94370400
 C                  3.94206400    3.58127800   -3.23480900
 H                  4.63552200    3.99730000   -3.96807700
 C                  2.55450300    3.72297900   -3.41534700
 H                  2.16367000    4.25735500   -4.28340200
 C                  1.66358300    3.18330400   -2.47779500
 H                  0.59138400    3.33433700   -2.60796400
 O                 -1.65093500    1.86508100    1.63125400
 P                 -1.03944500   -0.92344700    1.22007300
 P                  0.95866300    1.75183600   -0.13576800
 H                 -0.94116500    3.27144800    3.81324200
 H                 -2.99553200    4.03095300    1.96059700
 Pd                -0.43929300    0.06362100   -0.83841500
 C                 -2.28176200   -1.82058700   -2.80947900
 C                 -2.62002600   -0.38157500   -2.42854900
 H                 -3.16972900   -2.45420600   -2.67388400
 H                 -1.99330500   -1.86145200   -3.87431000
 O                 -1.21959400   -2.36632900   -2.00872200
 C                 -1.70872300    0.65906300   -2.66846500
 C                 -0.32097800    0.48809000   -2.95584800
 H                 -2.06063500    1.68270200   -2.51074200
 H                  0.24496100    1.36637400   -3.25606200
 H                  0.05398200   -0.46289600   -3.35356200
 C                 -3.94511300   -0.06055900   -1.87915000
 C                 -4.07461600    0.99591200   -0.91112700
 C                 -5.09372500   -0.77700500   -2.23394800
 C                 -5.28964700    1.29223900   -0.32820500
 H                 -3.17474200    1.52073300   -0.59071800
 C                 -6.35966100   -0.49362600   -1.65161600
 H                 -5.04365900   -1.57024600   -2.98169400
 C                 -6.46736300    0.55965900   -0.66943500
 H                 -5.35742900    2.07381100    0.43248500
 H                 -0.42719300   -2.49262100   -2.63006100
 C                 -7.52522900   -1.24965100   -1.98145200
 C                 -8.73911300   -0.98541400   -1.36225400
 H                 -7.43985500   -2.04753100   -2.72327200
 H                 -9.62233600   -1.57494000   -1.61709900
 C                 -8.84159200    0.05082700   -0.39088200
 C                 -7.72691200    0.80841200   -0.05360900
 H                 -9.80226900    0.24679600    0.08991600
 H                 -7.79764100    1.60183300    0.69445200
 C                  4.08771300    0.07713900   -4.48725600
 C                  3.07702300   -0.73187100   -4.06885500
 H                  3.93843300    0.73821400   -5.34525100
 H                  5.07697200    0.08955800   -4.02476300
 H                  2.14152900   -0.68113800   -4.63768600
 C                  3.02404500   -1.71384600   -2.99309300
 C                  1.86078100   -2.50613400   -2.88350900
 H                  1.82565400   -3.19720300   -2.01616500
 C                  4.06116500   -1.86055800   -1.95356900
 C                  4.81994500   -0.77457400   -1.49134200
 C                  4.29344300   -3.13192900   -1.31104900
 C                  5.70972400   -0.87715500   -0.38870600
 H                  4.67808300    0.20574700   -1.93748300
 C                  5.15425600   -3.26809200   -0.23638700
 H                  3.77878000   -4.01538200   -1.69183900
 C                  5.87574500   -2.14864900    0.27780800
 H                  5.29542500   -4.24586500    0.23219700
 O                  0.82877100   -2.49031500   -3.65270400
 C                  6.72462500   -2.23329900    1.41858500
 C                  7.37570000   -1.10534100    1.90486400
 H                  6.84382500   -3.20078000    1.91384300
 H                  8.01374100   -1.17772400    2.78834300
 C                  7.21147600    0.15061500    1.25254100
 C                  6.40628900    0.26037500    0.12722200
 H                  7.72445200    1.03215900    1.64426600
 H                  6.27476300    1.22354800   -0.37167600

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

pd 0
SDD





