%mem=43GB
%nprocshared=20
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt freq=noraman

op

0 1
 C                  0.70574900    2.47745300    0.34527000
 C                  1.15453600    3.61017300   -0.36493200
 H                  2.01997100    3.52484800   -1.02004600
 C                  0.50281600    4.84748000   -0.25498900
 H                  0.86741600    5.70254200   -0.82673400
 C                 -0.60984900    4.97811100    0.59006900
 H                 -1.12520600    5.93569400    0.68441800
 C                 -1.06172300    3.87618100    1.32810300
 C                 -0.40652500    2.64212100    1.20362900
 C                 -2.75122500    1.72448400    3.35734900
 C                 -2.17211200    1.35163900    2.13858300
 C                 -2.93507800    0.76069000    1.10231600
 C                 -4.32476100    0.62509400    1.30794600
 H                 -4.94334400    0.19785600    0.51917400
 C                 -4.91941300    1.01490000    2.51774200
 H                 -5.99590200    0.89694000    2.65249400
 C                 -4.13058700    1.54779100    3.55006400
 H                 -4.58565000    1.84157900    4.49750000
 C                  2.85173800    1.03569200   -1.00726500
 C                  2.52671300    1.44943100   -2.31995300
 H                  1.49565900    1.68583300   -2.57410400
 C                  3.52510700    1.59725100   -3.29210300
 H                  3.25356300    1.93287400   -4.29519700
 C                  4.86574200    1.31602600   -2.97561900
 H                  5.64571600    1.43267200   -3.73064700
 C                  5.19375300    0.88133500   -1.68224700
 H                  6.23000400    0.65258200   -1.42646200
 C                  4.19522000    0.73076000   -0.70558200
 H                  4.47164800    0.38576600    0.28973600
 C                  2.36850100    0.74905800    1.85587000
 C                  2.05491000   -0.27479300    2.76732700
 H                  1.31938600   -1.02877400    2.49275700
 C                  2.67327900   -0.31677800    4.02817800
 H                  2.42376000   -1.11952700    4.72530200
 C                  3.60404400    0.67151100    4.38650500
 H                  4.08696100    0.64090500    5.36551000
 C                  3.90875900    1.70848300    3.48492000
 H                  4.62480100    2.48440500    3.76392900
 C                  3.29040300    1.75209700    2.22664100
 H                  3.52513100    2.56083500    1.53245700
 C                 -1.92670700    1.52021800   -1.53956900
 C                 -2.70827300    2.68488200   -1.41375200
 H                 -3.41101300    2.78376800   -0.58551700
 C                 -2.57377600    3.72448600   -2.34772300
 H                 -3.17113700    4.63153800   -2.23480900
 C                 -1.67525300    3.60045500   -3.42104100
 H                 -1.57469800    4.41069100   -4.14600800
 C                 -0.90414700    2.43349400   -3.55763500
 H                 -0.20094900    2.33129300   -4.38667600
 C                 -1.02108700    1.40180600   -2.61366600
 H                 -0.40719900    0.50241100   -2.70256600
 C                 -3.25355000   -1.02551700   -1.21908600
 C                 -3.36924800   -1.03213100   -2.62664200
 H                 -2.84295700   -0.29102300   -3.22759200
 C                 -4.16438000   -1.99355500   -3.27094200
 H                 -4.24326300   -1.97969000   -4.36005400
 C                 -4.85824400   -2.95976100   -2.52451400
 H                 -5.47666100   -3.70525300   -3.02830800
 C                 -4.75266100   -2.95702800   -1.12336600
 H                 -5.29125100   -3.69739300   -0.52824500
 C                 -3.95230300   -2.00388600   -0.47732300
 H                 -3.89380500   -2.00626000    0.60828700
 O                 -0.79969700    1.54677000    1.97425600
 P                  1.49758000    0.80338100    0.22414500
 P                 -2.05618700    0.10291900   -0.37650300
 H                 -1.92007800    3.96567300    1.99367500
 H                 -2.12131800    2.16429200    4.13139800
 Pd                -0.01537900   -0.96540500    0.05478700
 C                  0.54317900   -3.21515900   -1.82627400
 C                  1.28773300   -2.84104600   -0.44637300
 H                  0.38455400   -2.20680200   -2.34469000
 C                  2.74415300   -2.72342600   -0.39830500
 C                  3.64195200   -2.46203100   -1.39714100
 H                  3.20448100   -2.87872300    0.58096900
 C                  0.57781100   -3.14760700    0.79730400
 C                 -0.86517200   -2.97025600    0.76304800
 C                  1.19042800   -3.46348500    2.05508800
 C                 -1.59580100   -3.00935400    1.98870800
 H                 -1.35179400   -3.17103700   -0.20756300
 C                  0.43721700   -3.53186300    3.21911300
 H                  2.26158500   -3.65144600    2.11384500
 C                 -0.96003600   -3.27450600    3.19659200
 H                 -2.67860500   -2.88739000    1.97361600
 H                  0.92603400   -3.78453700    4.16282600
 H                 -1.53822000   -3.33328700    4.12152700
 C                  5.12255700   -2.58152000   -1.11981900
 H                  5.54944700   -3.40883500   -1.71940500
 H                  5.66085300   -1.66911100   -1.42473200
 H                  5.33386500   -2.78386800   -0.05773800
 C                  3.28970600   -2.09343000   -2.81454500
 H                  3.23161000   -2.99400700   -3.45580700
 H                  2.32251800   -1.57650400   -2.88213600
 H                  4.06874700   -1.44171700   -3.24141800
 O                  1.53266836   -3.74308990   -2.52240600
 H                 -0.32112128   -3.84479114   -1.78821606

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

pd 0
SDD








