%mem=63GB
%nprocshared=24
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt freq=noraman

opt

0 1
 C                 -0.26679400    2.19941800    1.16283500
 C                 -0.36517000    2.59971000    2.50809800
 H                 -1.05682400    2.08080000    3.17240400
 C                  0.42778100    3.64768900    3.00196500
 H                  0.34728000    3.93999100    4.05021500
 C                  1.32067600    4.31398100    2.14720600
 H                  1.93844000    5.13072200    2.52499000
 C                  1.43217000    3.93303500    0.80136300
 C                  0.64413400    2.87710400    0.32710500
 C                  2.29985000    3.45333300   -2.46740800
 C                  1.92918600    2.40297900   -1.61865000
 C                  2.76780800    1.28348000   -1.40639700
 C                  4.03825000    1.29700100   -2.02342700
 H                  4.72939700    0.47328800   -1.85405000
 C                  4.42928900    2.35523500   -2.85759100
 H                  5.41668700    2.33632100   -3.32148000
 C                  3.55377800    3.42595700   -3.09603400
 H                  3.84779800    4.24550000   -3.75386800
 C                 -2.37542300    0.32181900    1.77548600
 C                 -1.89063000   -0.60268300    2.72472400
 H                 -0.90917000   -1.05966200    2.61476600
 C                 -2.70397700   -0.99903800    3.79738500
 H                 -2.31943900   -1.72171600    4.52019000
 C                 -4.00783600   -0.49230000    3.92647700
 H                 -4.64102300   -0.80934200    4.75804400
 C                 -4.49937700    0.41462700    2.97255900
 H                 -5.51642300    0.80367700    3.05491700
 C                 -3.68768600    0.82219500    1.90229500
 H                 -4.08988800    1.51323800    1.16379200
 C                 -2.24675200    1.74553700   -0.81657900
 C                 -2.31521000    1.27888800   -2.14148500
 H                 -1.78951200    0.36558500   -2.41462800
 C                 -3.03445100    1.99678500   -3.11026000
 H                 -3.08358400    1.62157700   -4.13434200
 C                 -3.68307600    3.19247900   -2.76248500
 H                 -4.24162200    3.75176800   -3.51591600
 C                 -3.60093600    3.67618000   -1.44430700
 H                 -4.09065000    4.61321800   -1.17142200
 C                 -2.87892600    2.96160900   -0.47676500
 H                 -2.79836900    3.35217500    0.53891200
 C                  2.55697200    0.39063800    1.36641700
 C                  3.50020500    1.39354900    1.66295400
 H                  4.00556100    1.92688900    0.85719300
 C                  3.77880300    1.71442100    3.00042700
 H                  4.50065000    2.50169400    3.22701800
 C                  3.12779600    1.03113800    4.04213000
 H                  3.34535800    1.28669700    5.08128700
 C                  2.19659100    0.02216200    3.74420500
 H                  1.68998100   -0.51575300    4.54801300
 C                  1.90593400   -0.29621300    2.40896100
 H                  1.19872500   -1.09586500    2.18528800
 C                  3.43712600   -1.46223800   -0.67884000
 C                  4.06267300   -2.13937800    0.38788900
 H                  3.86968200   -1.84142600    1.41846200
 C                  4.93687700   -3.20905500    0.13122800
 H                  5.41164400   -3.72541900    0.96788700
 C                  5.20322700   -3.60653200   -1.18816900
 H                  5.88500800   -4.43622400   -1.38508700
 C                  4.58878000   -2.92929600   -2.25657200
 H                  4.79367000   -3.22583400   -3.28716600
 C                  3.70717500   -1.86912300   -2.00512500
 H                  3.24090600   -1.34797600   -2.84174900
 O                  0.68148300    2.46553600   -1.00558100
 P                 -1.23477400    0.82032400    0.41999900
 P                  2.19627800   -0.13189300   -0.35742900
 H                  2.12911100    4.43628700    0.13135300
 H                  1.60909800    4.28485200   -2.61104800
 Pd                 0.00766400   -0.86953600   -0.64236100
 C                 -1.66255600   -3.55094800   -0.17465500
 C                 -1.84006000   -2.45151200   -1.23575700
 C                  0.10796800   -3.55686300    1.56662500
 H                 -2.64443600   -4.02702400   -0.01671900
 H                 -0.96407500   -4.30874600   -0.55722900
 O                 -1.19660600   -3.07587100    1.08667100
 O                  0.35325900   -3.09735600    2.70377900
 O                  0.75005100   -4.33093000    0.82185500
 C                 -0.82767300   -2.22904600   -2.20000400
 C                  0.53686200   -2.54551700   -1.96087200
 H                 -1.06177300   -1.62265100   -3.07889000
 H                  1.25243600   -2.31303700   -2.74802400
 H                  0.82073400   -3.32294400   -1.24295600
 C                 -3.20679900   -1.91114000   -1.41553500
 C                 -4.04290900   -1.74953900   -0.28310400
 C                 -3.72549300   -1.56216000   -2.68608400
 C                 -5.33370500   -1.22114800   -0.41331100
 H                 -3.66227400   -2.01375000    0.70309400
 C                 -5.02161200   -1.04697000   -2.81563800
 H                 -3.11779000   -1.70494500   -3.58038500
 C                 -5.82912800   -0.86417200   -1.67936500
 H                 -5.95009500   -1.08319100    0.47679800
 C                 -5.55698166   -0.68127052   -4.21250708
 C                 -6.77277377   -0.18960500   -4.40787291
 H                 -4.85019996   -0.86071804   -5.03375006
 H                 -7.15458485    0.07117965   -5.40406619
 C                 -7.76383103    0.06202404   -3.25631383
 C                 -7.47041334   -0.19548018   -1.98917103
 H                 -8.73332047    0.47201235   -3.56965332
 H                 -8.17720263   -0.01604601   -1.16792706

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

pd 0
SDD







