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

opt

0 1
 C                 -0.88233900   -2.51604300    0.71083000
 C                 -0.88795200   -3.19801500    1.94375200
 H                 -0.01217700   -3.14018000    2.59055300
 C                 -2.00846500   -3.93780900    2.35238900
 H                 -1.99608800   -4.45351000    3.31396600
 C                 -3.13757700   -4.01291900    1.52081400
 H                 -4.01184600   -4.58922500    1.82896400
 C                 -3.15410500   -3.34492700    0.28767200
 C                 -2.03183600   -2.60128000   -0.10209900
 C                 -3.93725700   -1.95539900   -2.70287800
 C                 -3.13181600   -1.30220100   -1.76170500
 C                 -3.44598300   -0.00894700   -1.28046000
 C                 -4.64189600    0.58387800   -1.74365200
 H                 -4.92631800    1.57190800   -1.38335000
 C                 -5.46673800   -0.07007500   -2.67128700
 H                 -6.38404000    0.41384700   -3.01053100
 C                 -5.10802000   -1.33461300   -3.16394800
 H                 -5.73886900   -1.84335900   -3.89482300
 C                  1.75273800   -1.62418500    1.48960800
 C                  1.62642800   -0.78326800    2.61636900
 H                  0.79456900   -0.08289700    2.67848400
 C                  2.56364900   -0.84390100    3.65819400
 H                  2.45641800   -0.18326000    4.52100400
 C                  3.63955700   -1.74589200    3.58497300
 H                  4.37537600   -1.78759300    4.39060800
 C                  3.76414000   -2.59337900    2.47180200
 H                  4.59494800   -3.29910600    2.40993100
 C                  2.82661000   -2.53459600    1.42800100
 H                  2.94069100   -3.19167700    0.56538400
 C                  1.23920400   -2.42006900   -1.25594000
 C                  1.99500400   -1.71767000   -2.21611400
 H                  2.09945400   -0.63623200   -2.12779600
 C                  2.61162900   -2.40547100   -3.27259800
 H                  3.20147700   -1.85289400   -4.00671600
 C                  2.46306900   -3.79857000   -3.38497600
 H                  2.93621400   -4.33449100   -4.21035800
 C                  1.70212200   -4.50218900   -2.43457100
 H                  1.58410600   -5.58450600   -2.51991700
 C                  1.09469200   -3.81779400   -1.36933900
 H                  0.51228900   -4.36734100   -0.62766900
 C                 -2.67275200    0.30949200    1.54143000
 C                 -3.81075700   -0.45745500    1.85192400
 H                 -4.51704400   -0.73064300    1.06759600
 C                 -4.02536500   -0.88860400    3.17122700
 H                 -4.90069100   -1.49855200    3.40292500
 C                 -3.11785500   -0.54290200    4.18617400
 H                 -3.28675400   -0.88411400    5.20948600
 C                 -1.98975300    0.23979500    3.88252000
 H                 -1.28087500    0.51290500    4.66670400
 C                 -1.76489600    0.65899600    2.56377800
 H                 -0.88395700    1.25606500    2.31788900
 C                 -2.91184900    2.62836000   -0.19049000
 C                 -3.33084900    3.29780700    0.97692400
 H                 -3.35468300    2.77434700    1.93304900
 C                 -3.72036800    4.64722400    0.91628500
 H                 -4.04066600    5.15524800    1.82835000
 C                 -3.70755200    5.33470300   -0.30736400
 H                 -4.01256500    6.38211400   -0.35155800
 C                 -3.30098500    4.66780600   -1.47755700
 H                 -3.29178800    5.19316300   -2.43470200
 C                 -2.89849000    3.32664500   -1.41948000
 H                 -2.58145200    2.81736500   -2.33080100
 O                 -1.97331600   -1.94852300   -1.33216800
 P                  0.51124500   -1.45692300    0.13637600
 P                 -2.28405200    0.89357000   -0.15579600
 H                 -4.02773600   -3.39088600   -0.36224700
 H                 -3.64347300   -2.94575900   -3.05231800
 Pd                -0.01870700    0.72112900   -0.55633000
 C                  2.29249300    2.36578400    0.94624200
 C                  2.57631700    1.94754300   -0.48798200
 C                  0.65558541    3.81859979    2.00962128
 H                  2.57174994    1.55562037    1.63644408
 H                  2.88593863    3.25374431    1.20455557
 O                  0.92155934    2.72406546    1.13908531
 O                 -0.57846190    4.17020518    2.05368495
 O                  1.62889291    4.29605866    2.60125975
 C                  1.56426300    2.02838400   -1.49120600
 C                  0.29562900    2.67517800   -1.37372900
 H                  1.80614600    1.59195400   -2.46298200
 H                 -0.26573800    2.83808700   -2.29708900
 H                  0.10655900    3.41949300   -0.59435100
 C                  3.75376600    1.07925300   -0.74741900
 C                  4.33737300    0.31174400    0.28602600
 C                  4.31314800    0.99609200   -2.04590300
 C                  5.41965600   -0.53996000    0.01912000
 H                  3.93230100    0.35580400    1.29478000
 C                  5.39525300    0.14854600   -2.30917100
 H                  3.90893600    1.61491300   -2.84731100
 C                  5.95025900   -0.63086800   -1.27737200
 H                  5.84060000   -1.13836900    0.82868200
 H                  5.81109300    0.10079900   -3.31778700
 H                  6.79285300   -1.29453100   -1.48246000

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

pd 0
SDD









                                             
