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

opt

0 1
 C                 -0.00497000   -2.45287700    0.38694600
 C                  0.08522900   -3.26316200    1.53609900
 H                  0.90018700   -3.10136500    2.24225500
 C                 -0.87436500   -4.25343000    1.79948700
 H                 -0.79302500   -4.86158000    2.70203800
 C                 -1.93893600   -4.44921900    0.90529200
 H                 -2.69357000   -5.21234900    1.10467400
 C                 -2.04218800   -3.66715700   -0.25527300
 C                 -1.07736800   -2.68091900   -0.50336200
 C                 -2.85784600   -2.18562700   -3.25368100
 C                 -2.34649100   -1.50012000   -2.14429700
 C                 -3.02986700   -0.40587500   -1.56114600
 C                 -4.28112200   -0.05592800   -2.11586900
 H                 -4.84502200    0.77141600   -1.68617800
 C                 -4.81075300   -0.74485000   -3.21795200
 H                 -5.78021400   -0.44895700   -3.62264600
 C                 -4.09420700   -1.80407800   -3.79675700
 H                 -4.49555400   -2.33906800   -4.65922600
 C                  2.18150800   -0.95660200    1.55036700
 C                  1.93222900    0.02877100    2.52649800
 H                  1.13460300    0.75743500    2.37174600
 C                  2.75383500    0.12475200    3.66089100
 H                  2.56017600    0.90181300    4.40319100
 C                  3.83825600   -0.75452900    3.82106600
 H                  4.48633400   -0.67140000    4.69602200
 C                  4.09576300   -1.73450400    2.84540100
 H                  4.94132600   -2.41556000    2.96310800
 C                  3.26871700   -1.83908500    1.71594000
 H                  3.47344400   -2.59885900    0.96010400
 C                  2.18796100   -1.56228500   -1.28914700
 C                  2.79063700   -0.57680100   -2.09774900
 H                  2.55959700    0.47396800   -1.92122600
 C                  3.68481600   -0.94455600   -3.11520600
 H                  4.15350400   -0.17222700   -3.72823600
 C                  3.96954400   -2.30198700   -3.34404900
 H                  4.66004400   -2.59009100   -4.13955500
 C                  3.35866700   -3.28981400   -2.55159900
 H                  3.57347900   -4.34567200   -2.73031800
 C                  2.47183500   -2.92343100   -1.52584300
 H                  2.00269500   -3.69287900   -0.90978500
 C                 -2.74963000   -0.41251800    1.33529000
 C                 -3.95075700   -1.14654400    1.40805600
 H                 -4.61476200   -1.19322700    0.54285600
 C                 -4.28984200   -1.82265000    2.59032100
 H                 -5.21749700   -2.39687400    2.63882300
 C                 -3.43757600   -1.76340400    3.70732800
 H                 -3.70189100   -2.29427600    4.62427800
 C                 -2.24324500   -1.02637300    3.64046500
 H                 -1.57431700   -0.98135400    4.50255600
 C                 -1.89968700   -0.35496800    2.45675200
 H                 -0.96736400    0.20773000    2.39002400
 C                 -3.32850000    2.05492000   -0.06145600
 C                 -4.04749900    2.39462500    1.10235500
 H                 -4.05184500    1.72060300    1.95971300
 C                 -4.76397500    3.60286500    1.16486500
 H                 -5.31470100    3.85492200    2.07369600
 C                 -4.78139300    4.47400300    0.06430400
 H                 -5.34226000    5.40959500    0.11322900
 C                 -4.07055100    4.13717200   -1.10272600
 H                 -4.07921000    4.80894500   -1.96376000
 C                 -3.34068900    2.94216800   -1.16202400
 H                 -2.78178000    2.69149500   -2.06537900
 O                 -1.10265000   -1.89919900   -1.65499900
 P                  1.07788900   -0.99542500    0.07282700
 P                 -2.26564100    0.54725300   -0.16212700
 H                 -2.86467900   -3.81309100   -0.95571400
 H                 -2.28587300   -3.01548200   -3.67069200
 Pd                -0.01036200    1.02533400   -0.30121400
 C                  3.54328216    1.83505482    0.09397053
 C                  2.36551000    2.73088500    0.16490500
 H                  4.27228769    2.05115727    0.91688702
 H                  2.01149806    1.82206006    0.26036589
 O                  3.91990062    1.14921631   -0.91948177
 C                  1.31944800    2.75444400   -0.83480800
 C                 -0.04280200    3.14466900   -0.65936300
 H                  1.65683000    2.59093600   -1.86223300
 H                 -0.60990600    3.40411800   -1.55813800
 H                 -0.35475800    3.62671400    0.26835600
 C                  2.25209652    3.67592021    1.31406499
 C                  3.11366145    4.79245616    1.41279920
 C                  1.24245978    3.51287842    2.29156082
 C                  2.95397103    5.72933733    2.44540217
 H                  3.88450442    4.94504185    0.66073803
 C                  1.08593019    4.44719166    3.32395131
 H                  0.58152303    2.64576002    2.24207952
 C                  1.93787915    5.56433080    3.40035326
 H                  3.61765168    6.59514342    2.49221610
 H                  0.30108317    4.30397312    4.06966223
 H                  1.80938383    6.29782501    4.19907752

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

pd 0
SDD








