%chk=Ph_PyroPhos-opt-ts-a0.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                 -0.00930100    8.60860100    0.27071000
 C                  0.57210400    8.57730100   -0.97829300
 C                 -0.22961200    8.62749400   -2.15000000
 C                 -1.65314800    8.69552500   -2.02522800
 C                 -2.22385200    8.72046900   -0.72827200
 C                 -1.41779800    8.68397900    0.39122600
 H                  1.42788300    8.59888600   -3.53772600
 H                  0.60775900    8.57608400    1.16326400
 H                  1.65208600    8.52240700   -1.08632300
 C                  0.34676500    8.65822800   -3.44696500
 C                 -2.44714400    8.77666100   -3.22055400
 H                 -3.30102600    8.79948600   -0.62876600
 H                 -1.87018100    8.71389900    1.37799100
 C                 -1.82426400    8.88293300   -4.47473100
 C                 -0.41599100    8.80105900   -4.58452600
 H                  0.06641400    8.85659300   -5.55181000
 O                 -2.65193100    9.06927600   -5.52841100
 C                 -2.09832800    9.15752600   -6.84895100
 H                 -1.56698700    8.23707900   -7.11219500
 H                 -2.95305100    9.29017500   -7.51173600
 H                 -1.42746000   10.01914800   -6.93158500
 C                 -3.86482400    8.73106400   -3.17292300
 C                 -4.96825000    8.04066000   -3.10679100
 C                 -6.22689200    8.76853900   -3.28105600
 C                 -6.05911500   10.13262600   -3.59174800
 C                 -7.14101300   10.96587200   -3.85095100
 H                 -6.98684400   12.00917100   -4.09741800
 C                 -8.42949800   10.42105000   -3.78061900
 H                 -9.28721500   11.05795100   -3.97260700
 C                 -8.61468100    9.06890800   -3.48128000
 H                 -9.61867600    8.65709400   -3.44277100
 C                 -7.51731100    8.23654400   -3.24157100
 H                 -7.65399700    7.17998300   -3.03654800
 S                 -4.19352400   11.90667600   -2.65248400
 O                 -5.00699700   13.05375800   -3.06678500
 O                 -4.23523100   11.42266700   -1.27386400
 C                 -2.52057200   12.12888200   -3.20972600
 C                 -1.47384900   11.87356700   -2.32308500
 C                 -2.30456700   12.56954400   -4.52067400
 C                 -0.16616400   12.05266700   -2.77487600
 H                 -1.67981300   11.52954300   -1.31650900
 C                 -0.99101100   12.72779300   -4.95797300
 H                 -3.13741300   12.79536000   -5.17943300
 C                  0.07293400   12.46826500   -4.08675200
 H                  0.66180200   11.85069300   -2.10365600
 H                 -0.79928800   13.06175500   -5.97259400
 H                  1.09399000   12.59332100   -4.43383500
 Au                -4.71045500    5.98054300   -3.32198300
 P                 -4.38999800    3.84435800   -4.25626000
 C                 -2.56803000    3.72821300   -4.82905500
 C                 -1.73853300    3.27219200   -3.59937900
 C                 -2.27505800    2.77363000   -6.01355300
 C                 -2.09269400    5.15819700   -5.22828900
 H                 -2.02530900    2.25824400   -3.30333200
 H                 -1.94394600    3.92427900   -2.74646200
 C                 -0.23229500    3.29127200   -3.92889900
 H                 -2.82811200    3.08556300   -6.90615900
 H                 -2.58598400    1.75090500   -5.77721200
 C                 -0.76093500    2.77381600   -6.33370300
 H                 -2.26542500    5.85449200   -4.39938000
 H                 -2.66942400    5.53331200   -6.08143100
 C                 -0.58927900    5.15720700   -5.56857500
 H                  0.31733100    2.96979500   -3.03556200
 C                  0.03812700    2.32068300   -5.09523500
 C                  0.20439500    4.71407900   -4.32572800
 H                 -0.58404800    2.07889100   -7.16440800
 C                 -0.32062800    4.19321900   -6.73820700
 H                 -0.29810700    6.17761500   -5.84844400
 H                 -0.25323800    1.30038600   -4.81071200
 H                  1.11052000    2.29826800   -5.33113900
 H                  0.02193000    5.41067700   -3.49633600
 H                  1.28195000    4.73338200   -4.53791100
 H                  0.74705000    4.19729100   -6.99525400
 H                 -0.87156800    4.52010500   -7.63098400
 C                 -5.64366500    3.69428400   -5.67755200
 C                 -5.34465700    4.79499000   -6.73033300
 C                 -5.70930300    2.31614800   -6.38460700
 C                 -7.04316400    3.96914900   -5.05706000
 H                 -4.37064300    4.61765900   -7.19998700
 H                 -5.29646600    5.77756000   -6.24314500
 C                 -6.43838700    4.80242700   -7.81913500
 H                 -5.96069700    1.53602300   -5.65884800
 H                 -4.74377500    2.05517100   -6.82733600
 C                 -6.79055000    2.33437300   -7.48995500
 H                 -7.04328700    4.93649700   -4.53896100
 H                 -7.27029300    3.19777000   -4.31065100
 C                 -8.13092500    3.97895200   -6.14998900
 H                 -6.20143900    5.58912500   -8.54680600
 C                 -6.46612200    3.43129300   -8.52220400
 C                 -7.80935600    5.08520100   -7.17409000
 H                 -6.79843500    1.35318300   -7.98110700
 C                 -8.16672800    2.61099700   -6.85623500
 H                 -9.10005500    4.18049000   -5.67593000
 H                 -5.49455800    3.23059100   -8.99429500
 H                 -7.22055400    3.43151800   -9.32002800
 H                 -7.79776400    6.06602200   -6.67833600
 H                 -8.58859100    5.12057400   -7.94677000
 H                 -8.94716700    2.60543800   -7.62865400
 H                 -8.41651700    1.82068400   -6.13533300
 C                 -4.70116700    2.40653700   -3.15205300
 C                 -4.41238000    1.11174800   -3.62920200
 C                 -5.16983500    2.55091300   -1.82413200
 C                 -4.57823300   -0.01922500   -2.83654200
 H                 -4.03299900    0.98292100   -4.63443600
 C                 -5.33600000    1.39460100   -1.04051700
 C                 -5.04696000    0.12559700   -1.53051400
 H                 -4.33959900   -1.00039700   -3.23594600
 H                 -5.71174800    1.49646800   -0.02938900
 H                 -5.19012800   -0.74416100   -0.89567000
 C                 -6.88836900    4.25887800   -1.18329300
 C                 -4.81893500    4.14905500    0.04248300
 C                 -6.79161100    5.57628700   -0.38530900
 H                 -7.22547000    4.44800200   -2.20662600
 C                 -5.49931500    5.47333800    0.46218000
 H                 -5.08342200    3.38203100    0.78669900
 H                 -6.71005100    6.41334600   -1.08142500
 H                 -7.68505800    5.74113800    0.22189700
 H                 -4.85453600    6.33252200    0.26976700
 H                 -5.70391200    5.46368600    1.53704000
 N                 -5.45471300    3.84121400   -1.26452000
 H                 -4.32508400   10.65410100   -4.60883700
 N                 -4.66698300   10.51951300   -3.65155000
 C                 -7.81310000    3.21509900   -0.57173500
 C                 -8.53319900    2.35755200   -1.41449400
 C                 -7.92237900    3.02914800    0.81570600
 C                 -9.33008500    1.33533500   -0.89538300
 H                 -8.46485900    2.48854200   -2.49173900
 C                 -8.71272000    2.00456000    1.34041300
 H                 -7.39198800    3.68725100    1.49730500
 C                 -9.41736100    1.15148300    0.48634300
 H                 -9.87964300    0.68331300   -1.56906900
 H                 -8.78178500    1.87604400    2.41729800
 H                -10.03365900    0.35559600    0.89523400
 C                 -3.30258700    4.16236700   -0.06515100
 C                 -2.57457000    3.02055000    0.29624100
 C                 -2.59734900    5.27307900   -0.54628700
 C                 -1.18279400    2.98498400    0.17714000
 H                 -3.10355400    2.14782400    0.66979700
 C                 -1.20566800    5.25031100   -0.65333200
 H                 -3.12911700    6.16931200   -0.84245000
 C                 -0.49253100    4.10389700   -0.29445400
 H                 -0.64025300    2.08688600    0.45987300
 H                 -0.68320500    6.12597700   -1.02147200
 H                  0.59028100    4.08395000   -0.38235300

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

Au 0
SDD



