%mem=53GB
%nprocshared=24
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt freq=noraman

opt

0 1
 C                 -1.21129200   -2.37208600    1.14592100
 C                 -0.94198500   -2.73229000    2.48129100
 H                  0.07994600   -2.66598200    2.85592800
 C                 -1.97179700   -3.15438500    3.33687300
 H                 -1.74115400   -3.41859000    4.37084300
 C                 -3.28950800   -3.23533500    2.86085600
 H                 -4.09662200   -3.56344800    3.51854500
 C                 -3.58187300   -2.88785800    1.53292100
 C                 -2.54795700   -2.45466800    0.69214400
 C                 -5.01335000   -2.17694800   -1.48874800
 C                 -3.95310700   -1.44411800   -0.94038100
 C                 -4.03936800   -0.04518900   -0.73789700
 C                 -5.26125500    0.58308800   -1.06474800
 H                 -5.36748300    1.65643600   -0.91139400
 C                 -6.33409500   -0.14361500   -1.60053400
 H                 -7.26502200    0.37282600   -1.84331200
 C                 -6.20868700   -1.52443100   -1.82476600
 H                 -7.03942600   -2.09405600   -2.24733600
 C                  1.62063000   -1.86476900    0.97464900
 C                  2.07127100   -0.75818700    1.72296000
 H                  1.51032700    0.17530000    1.69553900
 C                  3.26843000   -0.83246700    2.45083400
 H                  3.61597800    0.03926900    3.01217700
 C                  4.03233800   -2.01285200    2.43032400
 H                  4.97726000   -2.06439800    2.97679600
 C                  3.58669200   -3.11962300    1.68908400
 H                  4.17783400   -4.03939500    1.66724400
 C                  2.38356400   -3.04972700    0.96822700
 H                  2.04833200   -3.91502400    0.39249400
 C                  0.18230800   -2.91658400   -1.33182300
 C                  0.55797300   -2.47656500   -2.61897900
 H                  0.74414300   -1.41306600   -2.79004500
 C                  0.67523300   -3.39706500   -3.67499800
 H                  0.96464500   -3.04677500   -4.66817800
 C                  0.40984900   -4.75766100   -3.45529900
 H                  0.49440500   -5.47395000   -4.27711300
 C                  0.02584200   -5.20025000   -2.17722000
 H                 -0.18815000   -6.25756700   -2.00385000
 C                 -0.08951800   -4.28444400   -1.11919900
 H                 -0.39326200   -4.62754600   -0.12955600
 C                 -2.59728300    0.78333100    1.67845700
 C                 -3.74332100    0.40322400    2.40339800
 H                 -4.66419500    0.15973200    1.87521200
 C                 -3.69211600    0.32182300    3.80473200
 H                 -4.57892800    0.01291300    4.36059000
 C                 -2.50446200    0.63438600    4.48945000
 H                 -2.46973700    0.56880300    5.57906300
 C                 -1.36307900    1.02817600    3.76808900
 H                 -0.43655600    1.27067200    4.29655300
 C                 -1.40494400    1.09666900    2.36981200
 H                 -0.51430400    1.38577700    1.80526800
 C                 -3.03924900    2.65983000   -0.49392300
 C                 -3.09182300    3.63478300    0.52186300
 H                 -2.93236100    3.35239200    1.56451200
 C                 -3.34931000    4.97876200    0.20289500
 H                 -3.38412800    5.72587500    1.00099700
 C                 -3.56916800    5.36069100   -1.12948900
 H                 -3.77397400    6.40438200   -1.37677700
 C                 -3.52520800    4.39205100   -2.14932000
 H                 -3.69529200    4.67724400   -3.18858600
 C                 -3.25217400    3.05200900   -1.83479900
 H                 -3.20406900    2.30807100   -2.63220300
 O                 -2.77613500   -2.12619500   -0.64020100
 P                  0.05716800   -1.65681000    0.01125900
 P                 -2.56214200    0.90989200   -0.15706500
 H                 -4.60245500   -2.94191700    1.15365900
 H                 -4.89269400   -3.25155800   -1.63505900
 Pd                -0.43946400    0.44242800   -0.90999600
 C                  2.33443800    3.66970600   -1.11164000
 C                  2.17857400    2.14143100   -1.11911700
 C                  2.09750500    3.26741100    1.14839300
 H                  3.14623700    3.98527700   -1.78353200
 H                  1.39538100    4.14779800   -1.42183300
 O                  2.66818200    4.11892900    0.21902900
 O                  1.54614100    2.20626900    0.59610200
 O                  2.14432900    3.53982600    2.34521200
 C                  1.14572000    1.59619200   -2.01104400
 C                 -0.15124400    2.15248000   -2.16501900
 H                  1.50314800    0.87586000   -2.75582900
 H                 -0.43541100    3.06851300   -1.64305100
 H                 -0.69815700    1.97602500   -3.10143000
 C                  3.42468400    1.32652000   -0.97798600
 C                  4.63524600    1.90500200   -0.59503700
 C                  3.38493900   -0.09274800   -1.19330900
 C                  5.80634900    1.12067000   -0.39549800
 H                  4.71075300    2.97792200   -0.41616500
 C                  4.51074600   -0.87669100   -1.03439400
 H                  2.44082400   -0.55947900   -1.45875300
 C                  5.74824500   -0.30408400   -0.61169600
 H                  4.45467800   -1.95425400   -1.19145800
 C                  7.03228500    1.70722700    0.03828500
 C                  8.15293800    0.91789100    0.25956300
 H                  7.06901900    2.78741600    0.20131800
 H                  9.08472100    1.37595100    0.59990900
 C                  8.09106900   -0.48796700    0.05396800
 C                  6.91488300   -1.08758900   -0.37450400
 H                  8.98043600   -1.09726800    0.23657200
 H                  6.86264700   -2.16769900   -0.53374800

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

pd 0
SDD





