%mem=43GB
%nprocshared=24
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt=(qst3) freq=noraman

opt

0 1
 C                  1.66392200   -2.37881000    0.07977000
 C                  2.09648800   -3.26532600   -0.92683000
 H                  1.36332900   -3.71014200   -1.59934200
 C                  3.45838100   -3.55534000   -1.10415500
 H                  3.76963600   -4.23099200   -1.90278000
 C                  4.41321500   -2.96482500   -0.26172700
 H                  5.47561000   -3.17686600   -0.39599400
 C                  4.00855100   -2.09652700    0.76289200
 C                  2.64473300   -1.81376400    0.92461600
 C                  3.70364000    0.04742900    3.48068800
 C                  2.98207600    0.11403400    2.28187700
 C                  3.01171900    1.26307000    1.45468400
 C                  3.83478500    2.33416800    1.86645000
 H                  3.88904900    3.23217200    1.25162000
 C                  4.57229500    2.27457700    3.05934000
 H                  5.19873400    3.12011800    3.34896700
 C                  4.49859200    1.13456000    3.87492100
 H                  5.06273000    1.08262400    4.80776500
 C                 -0.90671400   -2.59732200   -1.19004900
 C                 -1.14105500   -1.83943300   -2.35466000
 H                 -0.88490700   -0.77805100   -2.35772200
 C                 -1.70786600   -2.43806500   -3.48996100
 H                 -1.89258800   -1.83992900   -4.38449200
 C                 -2.05216300   -3.79975400   -3.46569800
 H                 -2.49745500   -4.26693700   -4.34666600
 C                 -1.83648200   -4.55833800   -2.30149300
 H                 -2.11112300   -5.61518000   -2.27794100
 C                 -1.26518700   -3.96094000   -1.16648000
 H                 -1.08981300   -4.55387900   -0.26669000
 C                 -0.72640000   -2.65457500    1.70303500
 C                 -1.93638800   -2.20100200    2.27150800
 H                 -2.44558000   -1.34105900    1.83609200
 C                 -2.48517300   -2.85480800    3.38550600
 H                 -3.42366600   -2.49702900    3.81504000
 C                 -1.82497400   -3.95949800    3.95200200
 H                 -2.24780500   -4.46278600    4.82412300
 C                 -0.61717600   -4.41204900    3.39442700
 H                 -0.09977700   -5.27004500    3.82943400
 C                 -0.07081600   -3.76595900    2.27264700
 H                  0.86422700   -4.12684900    1.84098100
 C                  2.98255200    0.58618200   -1.37479000
 C                  4.38458700    0.73462400   -1.40425200
 H                  4.89102100    1.27880300   -0.60499500
 C                  5.12949800    0.17785500   -2.45449600
 H                  6.21571200    0.29048800   -2.46831000
 C                  4.47960400   -0.52432700   -3.48578400
 H                  5.06154600   -0.95972100   -4.30085800
 C                  3.08302100   -0.67113200   -3.46231700
 H                  2.57400800   -1.22285300   -4.25548700
 C                  2.33745400   -0.11962200   -2.40776000
 H                  1.25423900   -0.24503700   -2.37350100
 C                  1.98901900    3.14998200   -0.49841300
 C                  2.38898900    3.59997800   -1.77368800
 H                  2.77203800    2.89130200   -2.50879200
 C                  2.29849900    4.96298000   -2.10732500
 H                  2.61073500    5.29518100   -3.09989600
 C                  1.82158100    5.89230400   -1.16949200
 H                  1.75738000    6.95121900   -1.42822400
 C                  1.42708300    5.45140500    0.10740700
 H                  1.05750600    6.16663000    0.84545000
 C                  1.50016300    4.09106200    0.43731000
 H                  1.18424200    3.75783600    1.42674900
 O                  2.19007700   -0.98537400    1.94766400
 P                 -0.07195100   -1.75668500    0.22393100
 P                  1.93637800    1.35283200   -0.05975700
 H                  4.74115700   -1.63427600    1.42471000
 H                  3.64248700   -0.85941500    4.08369300
 Pd                -0.23133500    0.56472400    0.26359200
 C                 -3.45891815   -0.45298290   -0.71734364
 C                 -3.36908500    0.99473800   -0.18598800
 C                 -5.54009809    0.23388659   -0.06845455
 H                 -2.99017795   -0.60020907   -1.69569598
 H                 -3.06915847   -1.17240471    0.01705786
 O                 -4.88986728   -0.65939717   -0.86413066
 O                 -4.66135896    1.09775060    0.51333934
 O                 -6.73982896    0.26904429    0.08446618
 C                 -2.23457900    1.26017800    0.77930900
 C                 -1.35318000    2.36108200    0.58518000
 H                 -2.48642700    0.98069000    1.80805900
 H                 -1.40366600    2.95686500   -0.33236400
 H                 -0.96977700    2.90058600    1.45645500
 C                 -3.34680822    2.02642580   -1.32683439
 C                 -4.30285581    3.05343813   -1.43196561
 C                 -2.30326654    1.96198804   -2.27372748
 C                 -4.21858094    3.99760223   -2.47086584
 H                 -5.11524374    3.11695672   -0.70813880
 C                 -2.22187692    2.90132321   -3.31095289
 H                 -1.55157042    1.17484188   -2.18996204
 C                 -3.18131662    3.92532893   -3.41344541
 H                 -1.40995206    2.83462780   -4.03840737
 H                 -4.96893444    4.78824019   -2.54051310
 H                 -3.11886123    4.65802015   -4.22077455

opt

0 1
 C                  1.66392200   -2.37881000    0.07977000
 C                  2.09648800   -3.26532600   -0.92683000
 H                  1.36332900   -3.71014200   -1.59934200
 C                  3.45838100   -3.55534000   -1.10415500
 H                  3.76963600   -4.23099200   -1.90278000
 C                  4.41321500   -2.96482500   -0.26172700
 H                  5.47561000   -3.17686600   -0.39599400
 C                  4.00855100   -2.09652700    0.76289200
 C                  2.64473300   -1.81376400    0.92461600
 C                  3.70364000    0.04742900    3.48068800
 C                  2.98207600    0.11403400    2.28187700
 C                  3.01171900    1.26307000    1.45468400
 C                  3.83478500    2.33416800    1.86645000
 H                  3.88904900    3.23217200    1.25162000
 C                  4.57229500    2.27457700    3.05934000
 H                  5.19873400    3.12011800    3.34896700
 C                  4.49859200    1.13456000    3.87492100
 H                  5.06273000    1.08262400    4.80776500
 C                 -0.90671400   -2.59732200   -1.19004900
 C                 -1.14105500   -1.83943300   -2.35466000
 H                 -0.88490700   -0.77805100   -2.35772200
 C                 -1.70786600   -2.43806500   -3.48996100
 H                 -1.89258800   -1.83992900   -4.38449200
 C                 -2.05216300   -3.79975400   -3.46569800
 H                 -2.49745500   -4.26693700   -4.34666600
 C                 -1.83648200   -4.55833800   -2.30149300
 H                 -2.11112300   -5.61518000   -2.27794100
 C                 -1.26518700   -3.96094000   -1.16648000
 H                 -1.08981300   -4.55387900   -0.26669000
 C                 -0.72640000   -2.65457500    1.70303500
 C                 -1.93638800   -2.20100200    2.27150800
 H                 -2.44558000   -1.34105900    1.83609200
 C                 -2.48517300   -2.85480800    3.38550600
 H                 -3.42366600   -2.49702900    3.81504000
 C                 -1.82497400   -3.95949800    3.95200200
 H                 -2.24780500   -4.46278600    4.82412300
 C                 -0.61717600   -4.41204900    3.39442700
 H                 -0.09977700   -5.27004500    3.82943400
 C                 -0.07081600   -3.76595900    2.27264700
 H                  0.86422700   -4.12684900    1.84098100
 C                  2.98255200    0.58618200   -1.37479000
 C                  4.38458700    0.73462400   -1.40425200
 H                  4.89102100    1.27880300   -0.60499500
 C                  5.12949800    0.17785500   -2.45449600
 H                  6.21571200    0.29048800   -2.46831000
 C                  4.47960400   -0.52432700   -3.48578400
 H                  5.06154600   -0.95972100   -4.30085800
 C                  3.08302100   -0.67113200   -3.46231700
 H                  2.57400800   -1.22285300   -4.25548700
 C                  2.33745400   -0.11962200   -2.40776000
 H                  1.25423900   -0.24503700   -2.37350100
 C                  1.98901900    3.14998200   -0.49841300
 C                  2.38898900    3.59997800   -1.77368800
 H                  2.77203800    2.89130200   -2.50879200
 C                  2.29849900    4.96298000   -2.10732500
 H                  2.61073500    5.29518100   -3.09989600
 C                  1.82158100    5.89230400   -1.16949200
 H                  1.75738000    6.95121900   -1.42822400
 C                  1.42708300    5.45140500    0.10740700
 H                  1.05750600    6.16663000    0.84545000
 C                  1.50016300    4.09106200    0.43731000
 H                  1.18424200    3.75783600    1.42674900
 O                  2.19007700   -0.98537400    1.94766400
 P                 -0.07195100   -1.75668500    0.22393100
 P                  1.93637800    1.35283200   -0.05975700
 H                  4.74115700   -1.63427600    1.42471000
 H                  3.64248700   -0.85941500    4.08369300
 Pd                -0.23133500    0.56472400    0.26359200
 C                 -3.03984700    1.23951000   -1.67528100
 C                 -3.36908500    0.99473800   -0.18598800
 C                 -4.11423700   -0.76729600   -1.46895000
 H                 -3.35155000    2.22104000   -2.04677300
 H                 -1.97503500    1.06105600   -1.88302000
 O                 -3.82802100    0.22567200   -2.35548900
 O                 -3.67716500   -0.44527400   -0.21907100
 O                 -4.69771600   -1.78944200   -1.74956500
 C                 -2.23457900    1.26017800    0.77930900
 C                 -1.35318000    2.36108200    0.58518000
 H                 -2.48642700    0.98069000    1.80805900
 H                 -1.40366600    2.95686500   -0.33236400
 H                 -0.96977700    2.90058600    1.45645500
 C                 -4.63098700    1.75476100    0.25715400
 C                 -5.74987600    1.10116600    0.80554700
 C                 -4.64419700    3.16103700    0.14783200
 C                 -6.86580500    1.84271000    1.23295400
 H                 -5.75513100    0.01508800    0.89687600
 C                 -5.75818700    3.89921000    0.57084300
 H                 -3.77399900    3.67456200   -0.26533900
 C                 -6.87570100    3.24127000    1.11664000
 H                 -5.75398400    4.98718600    0.47518300
 H                 -7.72768900    1.32129700    1.65517900
 H                 -7.74406200    3.81516600    1.44695800

pt

0 1
 C                  1.66392200   -2.37881000    0.07977000
 C                  2.09648800   -3.26532600   -0.92683000
 H                  1.36332900   -3.71014200   -1.59934200
 C                  3.45838100   -3.55534000   -1.10415500
 H                  3.76963600   -4.23099200   -1.90278000
 C                  4.41321500   -2.96482500   -0.26172700
 H                  5.47561000   -3.17686600   -0.39599400
 C                  4.00855100   -2.09652700    0.76289200
 C                  2.64473300   -1.81376400    0.92461600
 C                  3.70364000    0.04742900    3.48068800
 C                  2.98207600    0.11403400    2.28187700
 C                  3.01171900    1.26307000    1.45468400
 C                  3.83478500    2.33416800    1.86645000
 H                  3.88904900    3.23217200    1.25162000
 C                  4.57229500    2.27457700    3.05934000
 H                  5.19873400    3.12011800    3.34896700
 C                  4.49859200    1.13456000    3.87492100
 H                  5.06273000    1.08262400    4.80776500
 C                 -0.90671400   -2.59732200   -1.19004900
 C                 -1.14105500   -1.83943300   -2.35466000
 H                 -0.88490700   -0.77805100   -2.35772200
 C                 -1.70786600   -2.43806500   -3.48996100
 H                 -1.89258800   -1.83992900   -4.38449200
 C                 -2.05216300   -3.79975400   -3.46569800
 H                 -2.49745500   -4.26693700   -4.34666600
 C                 -1.83648200   -4.55833800   -2.30149300
 H                 -2.11112300   -5.61518000   -2.27794100
 C                 -1.26518700   -3.96094000   -1.16648000
 H                 -1.08981300   -4.55387900   -0.26669000
 C                 -0.72640000   -2.65457500    1.70303500
 C                 -1.93638800   -2.20100200    2.27150800
 H                 -2.44558000   -1.34105900    1.83609200
 C                 -2.48517300   -2.85480800    3.38550600
 H                 -3.42366600   -2.49702900    3.81504000
 C                 -1.82497400   -3.95949800    3.95200200
 H                 -2.24780500   -4.46278600    4.82412300
 C                 -0.61717600   -4.41204900    3.39442700
 H                 -0.09977700   -5.27004500    3.82943400
 C                 -0.07081600   -3.76595900    2.27264700
 H                  0.86422700   -4.12684900    1.84098100
 C                  2.98255200    0.58618200   -1.37479000
 C                  4.38458700    0.73462400   -1.40425200
 H                  4.89102100    1.27880300   -0.60499500
 C                  5.12949800    0.17785500   -2.45449600
 H                  6.21571200    0.29048800   -2.46831000
 C                  4.47960400   -0.52432700   -3.48578400
 H                  5.06154600   -0.95972100   -4.30085800
 C                  3.08302100   -0.67113200   -3.46231700
 H                  2.57400800   -1.22285300   -4.25548700
 C                  2.33745400   -0.11962200   -2.40776000
 H                  1.25423900   -0.24503700   -2.37350100
 C                  1.98901900    3.14998200   -0.49841300
 C                  2.38898900    3.59997800   -1.77368800
 H                  2.77203800    2.89130200   -2.50879200
 C                  2.29849900    4.96298000   -2.10732500
 H                  2.61073500    5.29518100   -3.09989600
 C                  1.82158100    5.89230400   -1.16949200
 H                  1.75738000    6.95121900   -1.42822400
 C                  1.42708300    5.45140500    0.10740700
 H                  1.05750600    6.16663000    0.84545000
 C                  1.50016300    4.09106200    0.43731000
 H                  1.18424200    3.75783600    1.42674900
 O                  2.19007700   -0.98537400    1.94766400
 P                 -0.07195100   -1.75668500    0.22393100
 P                  1.93637800    1.35283200   -0.05975700
 H                  4.74115700   -1.63427600    1.42471000
 H                  3.64248700   -0.85941500    4.08369300
 Pd                -0.23133500    0.56472400    0.26359200
 C                 -3.05467174   -0.01354967   -1.31328782
 C                 -3.36908500    0.99473800   -0.18598800
 C                 -5.08328929   -0.52961833   -0.39538768
 H                 -2.75704348    0.45117725   -2.25881018
 H                 -2.31071565   -0.75531142   -0.98902749
 O                 -4.32808328   -0.68313177   -1.51786439
 O                 -4.46182539    0.28607811    0.50202501
 O                 -6.17046793   -1.03314127   -0.22662085
 C                 -2.23457900    1.26017800    0.77930900
 C                 -1.35318000    2.36108200    0.58518000
 H                 -2.48642700    0.98069000    1.80805900
 H                 -1.40366600    2.95686500   -0.33236400
 H                 -0.96977700    2.90058600    1.45645500
 C                 -3.91767866    2.32200762   -0.73717473
 C                 -5.16981889    2.83646971   -0.35336813
 C                 -3.11366616    3.06691055   -1.62510576
 C                 -5.61211551    4.07402119   -0.85406948
 H                 -5.80282956    2.27304203    0.33203739
 C                 -3.55664401    4.29866882   -2.12645749
 H                 -2.13594449    2.67870620   -1.91668849
 C                 -4.81037610    4.80824290   -1.74161066
 H                 -2.92365164    4.86079253   -2.81652841
 H                 -6.58714235    4.45981761   -0.54833549
 H                 -5.15652717    5.76791780   -2.13112442

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

pd 0
SDD






