%chk=Ph-PyroPhos_Product__opt__ircr__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=(maxcycles=1000)
   	freq=noraman

JMGFLAG: scan NAC5

1 1
 C                  4.11868200    3.08180500   -3.28412200
 C                  4.63574800    2.81221600   -2.03550800
 C                  3.78216900    2.64482100   -0.91378300
 C                  2.36471100    2.77086900   -1.08099500
 C                  1.86223900    3.01915900   -2.38872800
 C                  2.71670400    3.17383300   -3.46007600
 H                  5.36446900    2.23964300    0.50534000
 H                  4.77970800    3.20786800   -4.13625600
 H                  5.70898500    2.71746000   -1.89114100
 C                  4.29039200    2.34232700    0.37565200
 C                  1.50792200    2.63964900    0.05561800
 H                  0.78821300    3.04253700   -2.55337100
 H                  2.31027400    3.35674800   -4.45072500
 C                  2.05193000    2.32211300    1.30310600
 C                  3.45563600    2.17277100    1.45540800
 H                  3.87065200    1.93332900    2.42616700
 O                  1.18627300    2.18609900    2.33761100
 C                  1.67560300    2.26070500    3.67909000
 H                  2.25495800    3.17810000    3.83510100
 H                  0.78555800    2.28011800    4.30808600
 H                  2.27942400    1.38542600    3.93456800
 C                  0.05353400    2.81369000   -0.07195800
 C                 -0.94986900    1.91033400   -0.02999200
 C                 -2.21459300    2.64144100   -0.19510500
 C                 -1.95530000    4.00212700   -0.40765500
 C                 -2.93418100    4.94210800   -0.67751400
 H                 -2.70100500    5.98405600   -0.85478500
 C                 -4.25809100    4.47460900   -0.69948200
 H                 -5.06160500    5.17670100   -0.89720000
 C                 -4.55150000    3.12482200   -0.47636100
 H                 -5.58513300    2.79301900   -0.50350200
 C                 -3.53303000    2.19361800   -0.23310900
 H                 -3.75065200    1.13961700   -0.08746100
 S                 -0.00390400    5.58070800    0.99009500
 O                 -0.88885300    6.68469800    0.63362300
 O                 -0.05172600    4.90484600    2.27661700
 C                  1.64960100    5.89704000    0.44765300
 C                  2.71348900    5.50921100    1.26506600
 C                  1.83083100    6.48927800   -0.80803800
 C                  4.00821700    5.71630300    0.79527000
 H                  2.52822600    5.05445100    2.22980600
 C                  3.13477100    6.66978800   -1.26392600
 H                  0.98518100    6.81258100   -1.40694000
 C                  4.21609600    6.27963800   -0.46732300
 H                  4.85158400    5.41985300    1.40911500
 H                  3.30445200    7.11531200   -2.23824700
 H                  5.22845300    6.41663000   -0.83365400
 Au                -0.64633500   -0.10830200   -0.20722600
 P                 -0.23638300   -2.34758300   -0.86522700
 C                  1.53661300   -2.38209500   -1.61505200
 C                  2.53908400   -2.54365600   -0.44344500
 C                  1.82004100   -3.48143400   -2.66950400
 C                  1.80339900   -0.99448800   -2.27544100
 H                  2.39599500   -3.50758900    0.05523300
 H                  2.35554100   -1.76869200    0.30365400
 C                  3.99272000   -2.44121500   -0.95005200
 H                  1.14486000   -3.37800800   -3.52480600
 H                  1.66205300   -4.47862200   -2.24660100
 C                  3.28090500   -3.38099800   -3.16936400
 H                  1.63686900   -0.19426900   -1.54544200
 H                  1.10624600   -0.81767900   -3.10143400
 C                  3.25482100   -0.90005000   -2.78856100
 H                  4.66604800   -2.56511100   -0.09190100
 C                  4.24932000   -3.55482200   -1.98313500
 C                  4.22158700   -1.06486900   -1.60118900
 H                  3.44821100   -4.17816400   -3.90487300
 C                  3.50948800   -2.00707900   -3.82769500
 H                  3.39488600    0.08833900   -3.24355600
 H                  4.10499000   -4.54022800   -1.51938000
 H                  5.28798400   -3.51139600   -2.33725200
 H                  4.05323500   -0.26477600   -0.86870700
 H                  5.26104500   -0.97547500   -1.94501600
 H                  4.53673500   -1.93939100   -4.21038600
 H                  2.83426900   -1.88285400   -4.68558900
 C                 -1.56059400   -2.83779000   -2.14094100
 C                 -1.45070300   -1.90887200   -3.37857900
 C                 -1.53847700   -4.31783000   -2.60264400
 C                 -2.93183600   -2.58474600   -1.46086400
 H                 -0.50207500   -2.07261400   -3.90062000
 H                 -1.46945300   -0.85806000   -3.05996400
 C                 -2.61433900   -2.18486700   -4.35538500
 H                 -1.66177900   -4.97850700   -1.73832900
 H                 -0.58596200   -4.56909800   -3.07690800
 C                 -2.68963500   -4.58346500   -3.60011200
 H                 -2.99434800   -1.54257500   -1.12432400
 H                 -3.02695200   -3.22403700   -0.57635200
 C                 -4.09196300   -2.86125900   -2.43741400
 H                 -2.51033400   -1.51618700   -5.21941700
 C                 -2.54949600   -3.65295400   -4.82028400
 C                 -3.96054900   -1.92223500   -3.65216000
 H                 -2.63136600   -5.63047500   -3.92344900
 C                 -4.03916700   -4.32709800   -2.90383400
 H                 -5.03914400   -2.66911400   -1.91645300
 H                 -1.59663500   -3.84344700   -5.33298300
 H                 -3.35228300   -3.85567500   -5.54155300
 H                 -4.01727000   -0.87400000   -3.32675000
 H                 -4.78971200   -2.09075900   -4.35199400
 H                 -4.86750300   -4.53437900   -3.59440100
 H                 -4.15532200   -5.00005000   -2.04356100
 C                 -0.28294900   -3.61602600    0.47620800
 C                  0.16622800   -4.91223000    0.14993100
 C                 -0.57773100   -3.32670200    1.84047800
 C                  0.38179300   -5.89427500    1.11122500
 H                  0.39200700   -5.15253100   -0.88042500
 C                 -0.31648800   -4.32556600    2.79884200
 C                  0.15921100   -5.58485600    2.45244000
 H                  0.74042500   -6.87552700    0.81578000
 H                 -0.49631200   -4.10641600    3.84418200
 H                  0.34103800   -6.32341200    3.22814000
 C                 -2.48110600   -1.66129800    2.05087700
 C                 -0.59265600   -1.49795800    3.55468200
 C                 -2.64807600   -0.41034000    2.96874200
 H                 -2.58534300   -1.35416900    1.00794700
 C                 -1.24501900   -0.10810300    3.51059800
 H                 -1.00803700   -2.03935200    4.42213800
 H                 -3.07526600    0.42963100    2.41328000
 H                 -3.32979500   -0.64927800    3.79080700
 H                 -0.68477300    0.53336500    2.82430200
 H                 -1.26103300    0.36548400    4.49724200
 N                 -1.06460500   -2.06808100    2.27539400
 H                 -0.11516800    4.58270300   -1.19557800
 N                 -0.50178400    4.19548300   -0.32511800
 C                 -3.55020600   -2.70973000    2.32028200
 C                 -4.67098000   -2.77083600    1.48029200
 C                 -3.49906000   -3.57604600    3.42156000
 C                 -5.70173500   -3.68375800    1.71581800
 H                 -4.74111800   -2.09365500    0.63312000
 C                 -4.52151000   -4.49650500    3.65688800
 H                 -2.65955100   -3.53042500    4.10544900
 C                 -5.62598100   -4.55767700    2.80214700
 H                 -6.55833200   -3.71353600    1.04758600
 H                 -4.45673500   -5.16446000    4.51176700
 H                 -6.42059400   -5.27572800    2.98505900
 C                  0.91383600   -1.48898600    3.69444800
 C                  1.51616600   -1.97043900    4.86258400
 C                  1.73026400   -0.98790900    2.67397100
 C                  2.90554300   -1.95239300    5.01226200
 H                  0.89287500   -2.36741700    5.66080800
 C                  3.11898200   -0.98680600    2.80916500
 H                  1.26679500   -0.59487400    1.77534200
 C                  3.71253900   -1.46596600    3.98132200
 H                  3.35528800   -2.32918000    5.92686700
 H                  3.73686600   -0.60524200    2.00161700
 H                  4.79393200   -1.46234400    4.08732200

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

Au 0
SDD




