%mem=23GB
%nprocshared=12
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt freq=noraman

opt

0 1
 C                 -2.91256700    0.06651800    1.23456700
 C                 -3.56012600   -0.82580200    2.10949500
 H                 -3.72726600   -1.85711300    1.79731000
 C                 -3.97881600   -0.40160400    3.38052700
 H                 -4.47209600   -1.10666900    4.05148600
 C                 -3.76186300    0.92641900    3.78222300
 H                 -4.08716500    1.26276400    4.76833200
 C                 -3.12090800    1.83311700    2.92431400
 C                 -2.69831800    1.39290000    1.66373700
 C                 -1.59319800    4.47958800    1.43997600
 C                 -1.16403300    3.16107600    1.24512900
 C                  0.16542100    2.75796300    1.51387500
 C                  1.02998600    3.72365700    2.07551200
 H                  2.04914500    3.44679600    2.33840100
 C                  0.60591400    5.04254300    2.29614100
 H                  1.30097500    5.76464600    2.72735400
 C                 -0.70035600    5.42905100    1.95868300
 H                 -1.03204400    6.45695500    2.11452600
 C                 -2.77021000   -2.14251100   -0.64769500
 C                 -2.01008200   -3.12202200    0.02896600
 H                 -1.19792200   -2.82146500    0.68697300
 C                 -2.29112300   -4.48485000   -0.14126900
 H                 -1.69427800   -5.22813500    0.39093300
 C                 -3.32452800   -4.88843600   -1.00435500
 H                 -3.53739400   -5.94986700   -1.14635900
 C                 -4.08001500   -3.92067100   -1.68605700
 H                 -4.88341400   -4.22552800   -2.35971100
 C                 -3.80970700   -2.55346700   -1.50765600
 H                 -4.40121000   -1.81541600   -2.04830700
 C                 -3.37998300    0.60689000   -1.52925200
 C                 -2.81372400    1.38236000   -2.55950700
 H                 -1.73295500    1.37418600   -2.70660200
 C                 -3.63369800    2.17056900   -3.38269800
 H                 -3.18590400    2.76926200   -4.17870300
 C                 -5.02342300    2.19246000   -3.17701300
 H                 -5.66129700    2.80627400   -3.81624000
 C                 -5.59205400    1.43148000   -2.14011600
 H                 -6.67048500    1.45342100   -1.97065900
 C                 -4.77377400    0.64597100   -1.31363200
 H                 -5.21594000    0.06621700   -0.50141200
 C                  0.22124600    0.00010700    2.51163500
 C                 -0.13575200    0.53687600    3.76291800
 H                 -0.13953100    1.61677500    3.91446500
 C                 -0.50595700   -0.32038800    4.81094200
 H                 -0.79825900    0.10153200    5.77460000
 C                 -0.50930000   -1.71270700    4.62005000
 H                 -0.80433500   -2.37492200    5.43651500
 C                 -0.13441500   -2.25122400    3.37757000
 H                 -0.12245300   -3.33024100    3.22096300
 C                  0.22825100   -1.39674000    2.32641100
 H                  0.52356800   -1.80840100    1.35966300
 C                  2.57136800    1.11559300    1.25252300
 C                  3.26263200    0.08976400    1.93228400
 H                  2.71857700   -0.71685800    2.42027300
 C                  4.66488900    0.08587600    1.97290900
 H                  5.18195500   -0.72024700    2.49651400
 C                  5.39503200    1.11012000    1.34846800
 H                  6.48633300    1.10938800    1.38626700
 C                  4.71276100    2.13458300    0.67210300
 H                  5.26751600    2.93188500    0.17521000
 C                  3.31161700    2.13304600    0.61031500
 H                  2.79943500    2.92467900    0.06670800
 O                 -2.08453500    2.24351000    0.74507500
 P                 -2.27903800   -0.38239300   -0.43034900
 P                  0.73269000    1.04582400    1.08836200
 H                 -2.93920300    2.86268800    3.23231400
 H                 -2.62517400    4.73853800    1.20067100
 Pd                -0.04762800    0.07972900   -0.89658500
 C                  2.85577200   -0.75707600   -1.58667800
 C                  1.86392900    0.26504800   -2.15032100
 H                  3.52060900   -0.21999800   -0.88662800
 H                  2.31815600   -1.51240300   -0.99501000
 O                  3.58937600   -1.37479800   -2.63436200
 C                  0.72977700   -0.10097100   -2.94660200
 C                 -0.03557100   -1.28820500   -2.88055300
 H                  0.30678900    0.68983200   -3.57548700
 C                  2.37127500    1.65350900   -2.35843400
 C                  3.74634200    1.89518200   -2.57099000
 C                  1.49075800    2.76135100   -2.32943000
 C                  4.22567600    3.20322100   -2.74254100
 H                  4.43445800    1.05020000   -2.60908500
 C                  1.96997800    4.06804700   -2.48586700
 H                  0.43082500    2.58561600   -2.13127100
 C                  3.34411400    4.29568900   -2.69048600
 H                  5.29288500    3.36863400   -2.90630800
 H                  1.27535300    4.90971500   -2.43488400
 H                  3.72136800    5.31386800   -2.80701200
 C                 -1.24024300   -1.38509100   -3.78725000
 H                 -0.96851000   -2.01093500   -4.65854000
 H                 -2.07399000   -1.89538000   -3.28403000
 H                 -1.57742800   -0.40628400   -4.15244300
 C                  0.46185700   -2.62413600   -2.35101100
 H                  1.49776000   -2.79741600   -2.67901900
 H                  0.46976200   -2.67688200   -1.25221900
 H                 -0.18282900   -3.43716200   -2.71633900
 H                  3.68172500   -2.37671900   -2.33457200
 N                  3.58206884   -3.91465265   -1.90876564
 H                  3.39757060   -4.48823132   -2.74045305
 C                  2.65001106   -4.20720539   -0.96385455
 C                  1.61971580   -5.20849926   -1.10674778
 C                  2.64840860   -3.49802774    0.29236695
 C                  0.70906648   -5.48962665   -0.08011939
 H                  1.56871723   -5.76348037   -2.04988756
 C                  1.72964209   -3.78660252    1.30447870
 H                  3.39570740   -2.71257045    0.43655964
 C                  0.74796693   -4.79064698    1.14484599
 H                 -0.04508207   -6.26836985   -0.23714356
 H                  1.77452797   -3.21813401    2.23849312
 H                  0.03626241   -5.01249496    1.94224506

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

pd 0
SDD





