%mem=73GB
%nprocshared=24
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen IOP(1/8=4) pseudo=read opt=(ts,calcfc,noeigen,nomicro) freq=noraman

opt

0 1
 C                 -2.69095800    1.16516800    1.68380500
 C                 -2.72960200    1.38409100    3.07497800
 H                 -2.60908900    0.53971800    3.75385400
 C                 -2.89410400    2.67680100    3.59833900
 H                 -2.90923300    2.82622300    4.67937200
 C                 -3.03318500    3.77122800    2.72967500
 H                 -3.15353100    4.78029700    3.12820600
 C                 -3.02286300    3.57691600    1.33983700
 C                 -2.85504200    2.28119700    0.83310100
 C                 -3.22261800    3.75445500   -2.13191900
 C                 -2.33685400    2.95203800   -1.40154300
 C                 -0.93524100    3.03307000   -1.57811200
 C                 -0.45339700    3.98228500   -2.50743800
 H                  0.62080900    4.07662800   -2.66772900
 C                 -1.33016100    4.80072300   -3.23639700
 H                 -0.92681600    5.52528300   -3.94596100
 C                 -2.71736500    4.68231700   -3.05556900
 H                 -3.40563500    5.31046900   -3.62380800
 C                 -2.07872500   -1.60450900    2.31086000
 C                 -0.96520000   -1.42350000    3.16332900
 H                 -0.30824300   -0.56392700    3.01996700
 C                 -0.69369500   -2.34445400    4.18375800
 H                  0.16586800   -2.18754400    4.83910300
 C                 -1.51522500   -3.47464400    4.35148100
 H                 -1.29547800   -4.19993400    5.13755600
 C                 -2.61579800   -3.66691900    3.50126000
 H                 -3.25694300   -4.54252900    3.62408900
 C                 -2.90251200   -2.73420800    2.48877700
 H                 -3.76044300   -2.89511400    1.83495000
 C                 -3.84431000   -0.95314900    0.08534500
 C                 -3.79371100   -1.56254200   -1.18334000
 H                 -2.83052800   -1.71454200   -1.67137200
 C                 -4.98035900   -1.96179900   -1.82113200
 H                 -4.93157900   -2.43193500   -2.80512600
 C                 -6.22059300   -1.75184300   -1.19578700
 H                 -7.14300600   -2.05870200   -1.69349700
 C                 -6.27534800   -1.14162800    0.07096700
 H                 -7.23838800   -0.97592500    0.55880200
 C                 -5.09169200   -0.74277500    0.71023400
 H                 -5.13444000   -0.26771600    1.69242000
 C                  0.54149000    2.69348600    0.92346900
 C                  0.41552900    4.08300700    1.11808900
 H                  0.07787600    4.71850600    0.29757100
 C                  0.71935500    4.64812200    2.36716400
 H                  0.61280100    5.72491200    2.51461400
 C                  1.15744800    3.83210500    3.42459800
 H                  1.38941900    4.27481100    4.39549200
 C                  1.29203000    2.44608800    3.23254500
 H                  1.62781200    1.80674800    4.05189300
 C                  0.98227800    1.87816300    1.98743500
 H                  1.07207700    0.80016200    1.83314800
 C                  1.78001700    2.08246200   -1.62452500
 C                  2.86161300    2.85087000   -1.15170500
 H                  2.77938600    3.38958700   -0.20711600
 C                  4.05426700    2.92518400   -1.89348000
 H                  4.88962000    3.51652400   -1.51250500
 C                  4.17085800    2.24384100   -3.11491300
 H                  5.09915400    2.29877100   -3.68659700
 C                  3.09087100    1.47975200   -3.59481000
 H                  3.17758400    0.94115200   -4.54059400
 C                  1.90601200    1.39335900   -2.85174800
 H                  1.07833500    0.78155200   -3.21811500
 O                 -2.88369400    2.01175900   -0.53108600
 P                 -2.26668700   -0.44628000    0.89043300
 P                  0.20165000    1.86685800   -0.68725100
 H                 -3.13421300    4.41826200    0.65560300
 H                 -4.29478700    3.64695000   -1.96279700
 Pd                -0.32555800   -0.37462000   -0.37390400
 C                  0.44433200   -3.24479200    0.61626500
 C                  0.40010700   -2.47520400   -0.70373200
 H                  1.02185500   -2.67018900    1.36001700
 H                 -0.57332200   -3.35087500    1.01311500
 O                  0.95275300   -4.58619200    0.50725800
 C                  1.42025600   -1.52201700   -1.05270700
 C                  2.44665500   -0.99583500   -0.16233500
 H                  1.60164900   -1.31140400   -2.10874500
 H                  2.82140300   -0.01613500   -0.45435400
 H                  2.29744100   -1.09337000    0.91442000
 C                 -0.49329500   -3.01234600   -1.77741000
 C                 -1.27776900   -4.17673000   -1.57090400
 C                 -0.66116400   -2.33386200   -3.01733000
 C                 -2.18982900   -4.62490100   -2.53827700
 H                 -1.15935300   -4.74649500   -0.65188900
 C                 -1.56714400   -2.78755900   -3.98457500
 H                 -0.11213500   -1.41194900   -3.21027400
 C                 -2.34464900   -3.93688600   -3.75282100
 H                 -2.78027600   -5.52262700   -2.33910000
 H                 -1.67620100   -2.23071200   -4.91846800
 H                 -3.05582100   -4.28683800   -4.50400600
 C                  4.30482200   -1.84336300   -0.33978400
 H                  1.80000600   -4.52662200    0.00491800
 C                  5.08214800   -1.10420100    0.70779000
 C                  5.72165500   -1.78997600    1.76642700
 C                  5.18501200    0.30740200    0.67358100
 C                  6.41633900   -1.09077200    2.76685100
 H                  5.68946900   -2.88039000    1.80076300
 C                  5.88415500    1.00562800    1.66848300
 H                  4.71632800    0.86386700   -0.13741800
 C                  6.49840200    0.31074900    2.72540300
 H                  6.90123300   -1.64540300    3.57329800
 H                  5.94543900    2.09522000    1.61768500
 H                  7.04064300    0.85447100    3.50193300
 C                  4.63959300   -1.66100100   -1.77192900
 C                  5.59502800   -0.86586500   -2.29215000
 H                  4.02319100   -2.26029100   -2.44728500
 H                  5.74519300   -0.81765700   -3.37338000
 H                  6.25090300   -0.25244600   -1.67050000
 C                  3.75030300   -3.14584500    0.02930200
 O                  3.36318600   -4.01650400   -0.77356200
 H                  3.56820600   -3.28179000    1.11818100

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

pd 0
SDD




