%nproc=20
%Mem=40000MB
%Chk=IE14_TSInt1a-2a_S3S10_less4
#p SCRF=(PCM,Solvent=dichloroethane) BP86/genecp opt temperature=294.15 EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                 0.32887600    6.82639200    7.41434100
 C                 -2.03533300    4.32471700    7.58125200
 C                 -2.99083800    3.88188000    8.51989000
 C                 -4.32842400    3.65639300    8.16779500
 C                 -4.74194400    3.79100400    6.83768800
 C                 -3.79991800    4.17734000    5.87963900
 C                 -2.46340900    4.47897100    6.22186600
 C                 -1.62961800    5.01052600    5.10681900
 C                 -1.19602100    4.20909400    4.02941700
 C                 -0.39532600    4.75295000    3.01866300
 C                 -0.05819400    6.12825800    3.02587300
 C                 -0.58002800    6.94732600    4.04554100
 C                 -1.34680300    6.38460200    5.06965300
 C                  1.37326900    7.97481100    2.16181300
 C                  2.19412600    8.11806700    0.84933400
 C                  1.44340500    7.22607900   -0.18690800
 C                  0.27225900    6.58425200    0.59136400
 C                  2.15939700    8.16332400    3.44611600
 C                  2.29801800    9.46491200    3.94893400
 C                  2.97428100    9.70416300    5.15646600
 C                  3.53223500    8.64383200    5.87372200
 C                  3.38668300    7.33610500    5.37508000
 C                  2.71624100    7.09044900    4.16852900
 C                  3.03050100   11.12341700    5.67121300
 C                  3.99398100    6.20910500    6.17105200
 C                 -1.06553000    7.33034600    0.54114000
 C                 -2.21904800    6.67569300    1.02311200
 C                 -3.40696000    7.38307100    1.25980900
 C                 -3.49675400    8.74913600    0.96135900
 C                 -2.36502500    9.40057900    0.44822000
 C                 -1.16044300    8.70612900    0.24927300
 C                 -4.53791000    6.66200800    1.95161800
 C                 -2.45502300   10.87143100    0.11609900
 C                  0.74529300    3.16488700    7.74487500
 C                 -0.34254700    4.98146300   10.11346800
 P                 -0.30196900    4.70693100    8.19224100
 N                  0.78060500    6.63779100    2.00574100
 F                  1.77456600   11.61382800    5.88460200
 F                  3.62222100   11.95654100    4.76100100
 F                  3.71842900   11.22999600    6.83871100
 F                  5.34957500    6.31690400    6.24742100
 F                  3.70441500    4.98249600    5.65964100
 F                  3.53971900    6.21223800    7.47682900
 F                 -4.19786300    6.37109200    3.25170200
 F                 -4.83472600    5.47729800    1.35525600
 F                 -5.68157000    7.40509700    2.00170400
 F                 -1.23202600   11.47682700    0.13131000
 F                 -3.00645800   11.09653100   -1.10456800
 F                 -3.24102800   11.54044700    1.03092400
 H                  0.57995400    8.75866700    2.15714600
 H                  3.21835700    7.74686200    1.01481100
 H                  2.26319100    9.17607700    0.54730700
 H                  2.10682400    6.43011200   -0.55819700
 H                  1.09076500    7.78925400   -1.06653100
 H                  0.11470900    5.53126700    0.30773800
 H                 -2.71066200    3.71522900    9.55730700
 H                 -5.78456300    3.61686500    6.55790800
 H                 -4.10835000    4.32058700    4.84051800
 H                 -1.45614600    3.14650800    4.00149300
 H                 -0.02126500    4.11094600    2.21508000
 H                 -1.80475900    7.02376600    5.82186100
 H                 -0.38081800    8.02187400    4.06148200
 H                  1.86922200   10.30565100    3.39937900
 H                  2.60287200    6.06830700    3.79787200
 H                  4.05413000    8.83048600    6.81447700
 H                 -4.42351300    9.29862500    1.14260600
 H                 -0.29388900    9.25561200   -0.12827600
 H                 -2.18161500    5.60940400    1.26045400
 C                 -0.61143400    9.35603600    6.87451700
 C                  0.42052700    8.95712600    7.53631100
 C                  0.99721100    5.66628000   10.50923300
 H                  1.88753000    5.08351600   10.23924600
 H                  1.09288800    6.66767500   10.05388500
 H                  1.00064600    5.79479100   11.60784500
 C                 -0.49178300    3.69577700   10.95924200
 H                 -1.37923300    3.09113300   10.71428800
 H                  0.39285900    3.04519200   10.87409500
 H                 -0.57940900    3.98994000   12.02029400
 C                 -1.46126200    5.99512000   10.45495200
 H                 -1.33735000    6.92564000    9.87877500
 H                 -2.47903300    5.61501500   10.27978000
 H                 -1.38108500    6.25192400   11.52712300
 C                  2.11023000    3.21504700    8.46012700
 H                  2.65567700    4.14712100    8.23956700
 H                  2.03013500    3.09031300    9.55103500
 H                  2.72252900    2.37350600    8.08297300
 C                 -0.00809800    1.86142500    8.08766500
 H                  0.60107300    1.00556200    7.73950100
 H                 -0.17544700    1.73373300    9.16791000
 H                 -0.98477000    1.80917000    7.57544500
 C                  0.99206100    3.21677100    6.22229200
 H                  1.72569800    2.43384200    5.95740800
 H                  0.06974300    3.01096900    5.66290700
 H                  1.39033100    4.18938500    5.89132000
 C                 -5.34597000    3.42970400    9.25508600
 F                 -4.82388500    2.79131800   10.33880200
 F                 -6.41785700    2.71293600    8.82266200
 F                 -5.83124700    4.63772500    9.70435800
 C                  1.30064500    9.66784500    8.46196200
 C                  2.49003500    9.11212700    8.97472400
 C                  3.34923800    9.87607300    9.77425100
 H                  2.74982300    8.08537000    8.69895600
 C                  3.01527400   11.20338600   10.09004400
 H                  4.28224900    9.43874800   10.14308900
 H                  3.68359900   11.80680600   10.71260800
 C                  0.94413600   10.99799300    8.83837900
 C                  1.80650100   11.75962200    9.64295400
 H                  1.52333800   12.77347300    9.93746500
 C                 -1.80422800    9.46653400    6.16756400
 C                 -3.00281300    8.77697200    6.63608200
 C                 -1.81259400   10.09299500    4.88472300
 C                 -3.06824300    8.14778300    7.90436800
 C                 -4.10436000    8.61034400    5.72820600
 C                 -2.94330900    9.97320700    4.03828500
 C                 -4.14747600    7.33399900    8.23931200
 H                 -2.24190900    8.29149700    8.60532200
 C                 -5.20023400    7.77808100    6.09631200
 C                 -4.03866300    9.23093400    4.44601000
 H                 -2.94926500   10.44792700    3.05790200
 C                 -5.21544600    7.13466400    7.32822500
 H                 -4.17512000    6.83163800    9.21011400
 H                 -6.01356700    7.63411000    5.37739300
 H                 -4.88354600    9.10399600    3.76180200
 H                 -6.03884600    6.47006700    7.60367000
 O                 -0.68495500   10.74618800    4.54229300
 C                 -0.60326600   11.36691600    3.24176700
 H                 -1.45279400   12.04389700    3.06161300
 H                  0.32720800   11.95077800    3.26805400
 H                 -0.55783600   10.60260000    2.44600900
 N                 -0.31780800   11.45655400    8.36408000
 H                 -1.11932700   10.94825200    8.76735900
 O                 -1.28682000   13.63738600    9.46209100
 O                  0.46812400   13.78531100    7.58567300
 C                 -5.19116100   12.61323200    4.06280200
 H                 -5.81186800   13.52752500    4.02408500
 H                 -4.77121100   12.45780900    3.05391600
 H                 -5.85721900   11.76601900    4.29649200
 S                 -0.71145500   13.12737600    8.19053800
 C                 -2.03068000   12.97384000    6.98456400
 C                 -3.22131300   12.31533900    7.33961300
 H                 -3.35808500   11.89299700    8.34069200
 C                 -4.23607600   12.19535500    6.38347100
 H                 -5.14945400   11.64728300    6.63941800
 C                 -4.09461700   12.75243800    5.09476400
 C                 -2.90209900   13.44052000    4.78597100
 H                 -2.78592300   13.89548500    3.79605700
 C                 -1.85689600   13.54055500    5.71421500
 H                 -0.91916000   14.04399400    5.46147600

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

Au 0
SDD


