%chk=Ph-PyroPhos_opt-ts-b0.chk
%mem=40GB
%nprocshared=20

#p 	BP86/gen pseudo=read nosymm iop(2/16=1)   
	empiricaldispersion=gd3    
	int=ultrafine  
   	scrf=(pcm,solvent=dichloroethane) 
   	opt=(ts,noeigentest,calcfc,maxstep=3,maxcycles=5000)
   	freq=noraman

JMGFLAG: scan NAC5

1 1
 C                  0.12683600    9.16483200   -6.44616800
 C                  0.61708600    8.96982300   -5.17245800
 C                 -0.26506800    8.84629000   -4.06824400
 C                 -1.67599700    8.93065700   -4.28100000
 C                 -2.15229500    9.11833000   -5.60291400
 C                 -1.27027700    9.23367400   -6.65898700
 H                  1.28595900    8.55373600   -2.58979200
 H                  0.80688400    9.25841900   -7.28724000
 H                  1.68733100    8.90474300   -4.99532200
 C                  0.21341000    8.62838300   -2.74853400
 C                 -2.55963600    8.81394100   -3.15449700
 H                 -3.22302700    9.15415900   -5.78182700
 H                 -1.65333100    9.37535100   -7.66552400
 C                 -2.03757200    8.61746800   -1.86274100
 C                 -0.63569600    8.51334000   -1.67316300
 H                 -0.23305900    8.34066000   -0.68378400
 O                 -2.92639400    8.53758000   -0.85738800
 C                 -2.47156500    8.49311900    0.50146600
 H                 -1.86849200    9.37683900    0.73731400
 H                 -3.37954500    8.49746500    1.10332300
 H                 -1.90477900    7.57953200    0.69929700
 C                 -3.97192600    8.83857100   -3.33025800
 C                 -5.07353200    8.13979700   -3.41565100
 C                 -6.32209200    8.89406700   -3.50476800
 C                 -6.13200900   10.28588200   -3.58836900
 C                 -7.19774600   11.16712000   -3.72522200
 H                 -7.03031700   12.23394600   -3.80418300
 C                 -8.49380900   10.63504600   -3.74686300
 H                 -9.34094800   11.30708900   -3.84085800
 C                 -8.70203300    9.25605000   -3.65677500
 H                 -9.71307900    8.86070300   -3.67983800
 C                 -7.61859400    8.37924500   -3.54674800
 H                 -7.76739200    7.30517000   -3.49397000
 S                 -4.26108300   11.92922800   -2.39882000
 O                 -5.02065800   13.12524800   -2.77280900
 O                 -4.39649600   11.33400600   -1.07361900
 C                 -2.55668800   12.13958000   -2.85166700
 C                 -1.56768700   11.79636200   -1.92984200
 C                 -2.25611700   12.65156600   -4.11909600
 C                 -0.23308200   11.95709300   -2.30061400
 H                 -1.84168100   11.40706800   -0.95660900
 C                 -0.91691200   12.78566500   -4.47888900
 H                 -3.04314100   12.94976800   -4.80438100
 C                  0.08940900   12.43639100   -3.57260900
 H                  0.55167000   11.69026800   -1.60105400
 H                 -0.66074600   13.16518000   -5.46251400
 H                  1.13093100   12.54021700   -3.86017200
 Au                -4.79773500    6.10014600   -3.70403700
 P                 -4.42079200    3.85910000   -4.32564900
 C                 -2.65660200    3.80471400   -5.09519500
 C                 -1.63937900    3.70007000   -3.92955400
 C                 -2.38264400    2.66110100   -6.10443000
 C                 -2.40539600    5.16226000   -5.82076000
 H                 -1.77244500    2.75972900   -3.38532200
 H                 -1.81634400    4.50865400   -3.21690900
 C                 -0.19281900    3.78500700   -4.45890500
 H                 -3.06857800    2.72650000   -6.95492400
 H                 -2.53183100    1.68258500   -5.63760600
 C                 -0.92813600    2.74436500   -6.62540100
 H                 -2.56749900    5.99455900   -5.12595200
 H                 -3.11274100    5.29769200   -6.64578700
 C                 -0.96020300    5.23908700   -6.35481700
 H                  0.49171800    3.70163300   -3.60486800
 C                  0.05492900    2.62693400   -5.44437300
 C                  0.02180100    5.13200600   -5.17320800
 H                 -0.76677800    1.91572000   -7.32646600
 C                 -0.71292600    4.08812000   -7.34676800
 H                 -0.83053800    6.20660600   -6.85512500
 H                 -0.08022300    1.66317300   -4.93480500
 H                  1.08899000    2.65756700   -5.81267900
 H                 -0.14069600    5.96419100   -4.47542200
 H                  1.05633400    5.21029200   -5.53351900
 H                  0.30957000    4.14272000   -7.74365700
 H                 -1.39827700    4.17174500   -8.20140600
 C                 -5.76391000    3.32896800   -5.56128500
 C                 -5.66975100    4.20790500   -6.83570600
 C                 -5.74773900    1.83106000   -5.96276400
 C                 -7.12452300    3.61104300   -4.87229000
 H                 -4.72858500    4.02206200   -7.36371400
 H                 -5.68405800    5.27072800   -6.55873500
 C                 -6.84708900    3.89353000   -7.78434100
 H                 -5.85868500    1.20610500   -5.07067000
 H                 -4.80205600    1.56073300   -6.44033200
 C                 -6.91283200    1.52698000   -6.93237000
 H                 -7.18176700    4.66638300   -4.57807300
 H                 -7.20728500    3.00820300   -3.96165300
 C                 -8.29823200    3.29611000   -5.82062500
 H                 -6.75458100    4.52676100   -8.67579600
 C                 -6.78887000    2.40771000   -8.19058100
 C                 -8.18361100    4.18501700   -7.07395400
 H                 -6.85930000    0.46782100   -7.21395700
 C                 -8.25214700    1.81241100   -6.22768000
 H                 -9.23764300    3.50991400   -5.29428000
 H                 -5.84330300    2.19571400   -8.70832500
 H                 -7.60156100    2.17718600   -8.89199400
 H                 -8.23657700    5.24565200   -6.79093800
 H                 -9.02199700    3.98819500   -7.75501700
 H                 -9.09024300    1.57807400   -6.89734700
 H                 -8.35613500    1.17513800   -5.33919500
 C                 -4.44562700    2.64857000   -2.93075300
 C                 -3.99070000    1.34496900   -3.21868500
 C                 -4.71666700    2.98463600   -1.57130900
 C                 -3.74197200    0.40141700   -2.22775300
 H                 -3.78624500    1.06839000   -4.24419800
 C                 -4.41750700    2.02515300   -0.58373800
 C                 -3.93438500    0.75956300   -0.89410500
 H                 -3.38043000   -0.58661600   -2.49535900
 H                 -4.57451700    2.28013300    0.45722900
 H                 -3.72461300    0.05344400   -0.09567400
 C                 -6.64092300    4.63160800   -1.39633400
 C                 -4.74918300    4.85621400    0.09523900
 C                 -6.82460900    5.89607900   -0.50055300
 H                 -6.75250500    4.91770700   -2.44475900
 C                 -5.42424200    6.23379600    0.02476800
 H                 -5.15182600    4.32779000    0.97634800
 H                 -7.27328400    6.71803300   -1.06540200
 H                 -7.49439500    5.65825700    0.33148400
 H                 -4.87676300    6.87025300   -0.67605000
 H                 -5.44252200    6.72773600    1.00118500
 N                 -5.21729800    4.24826700   -1.16831300
 H                 -4.39156300   10.94234200   -4.48339500
 N                 -4.72479500   10.64251200   -3.56102800
 C                 -7.69522300    3.57462800   -1.10368900
 C                 -8.82901800    3.49967800   -1.92491800
 C                 -7.61956000    2.71692000    0.00266500
 C                 -9.84863900    2.58059600   -1.66676400
 H                 -8.91781800    4.17037300   -2.77552200
 C                 -8.63111900    1.79035100    0.26056200
 H                 -6.76944700    2.77324800    0.67230900
 C                 -9.74850600    1.71474700   -0.57586900
 H                -10.71557700    2.53968800   -2.32086300
 H                 -8.54745900    1.12896200    1.11886300
 H                -10.53441400    0.99186300   -0.37538700
 C                 -3.24300700    4.90010800    0.23022600
 C                 -2.63403100    4.53675400    1.43684700
 C                 -2.43414600    5.32527100   -0.82961900
 C                 -1.24537300    4.59594100    1.58417600
 H                 -3.25090800    4.20090300    2.26736000
 C                 -1.04604900    5.36120600   -0.69769300
 H                 -2.90497400    5.62945500   -1.75827000
 C                 -0.44549500    5.00066200    0.51291700
 H                 -0.79018500    4.31244100    2.52919700
 H                 -0.43400100    5.68262500   -1.53494500
 H                  0.63546900    5.03296500    0.61776900

-H -C -N -O -P -S -Cl 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD




