%nprocshared=20
%mem=40GB
# opt=(maxstep=3) freq=noraman b3lyp/genecp scrf=(solvent=toluene,pcm)
empiricaldispersion=gd3

Relaxation TS to intermediate before cyclisation of the matched case

0 1
 Au                -3.46560400   -1.32533600    0.47993700
 P                 -4.58396900    0.37770900   -0.54565900
 O                 -3.67239600    1.57733300   -1.10477000
 O                 -5.63822200    0.98623800    0.50860700
 O                 -5.54315600    0.13866400   -1.83790600
 O                  1.59621700   -0.70386200   -4.46038100
 N                  1.57171600    0.05583900   -2.27486400
 H                  2.13839300    0.09400300   -1.43149800
 N                  3.44133700   -0.95461300   -3.07924000
 H                  3.73306900   -0.83729700   -2.10973100
 C                 -2.34075700    1.24768900   -1.48436600
 C                 -1.29607200    1.69599800   -0.68398100
 H                 -1.49433600    2.31676900    0.18045000
 C                  0.00030700    1.32450700   -1.01456000
 H                  0.82278700    1.66508200   -0.39907200
 C                  0.25097700    0.47880100   -2.11137500
 C                 -0.81581400    0.07089300   -2.92805100
 H                 -0.63165500   -0.56173900   -3.78408700
 C                 -2.11847500    0.45885600   -2.60922300
 H                 -2.95138700    0.13189900   -3.22314700
 C                  2.15477000   -0.54901400   -3.37252600
 C                  4.44279000   -1.39561800   -3.95059400
 C                  4.22032500   -1.77223000   -5.28585600
 H                  3.22117500   -1.71329000   -5.69414900
 C                  5.29450500   -2.21382400   -6.06262500
 H                  5.11030300   -2.50256600   -7.09463600
 C                  6.58608700   -2.29413700   -5.53726300
 H                  7.41065400   -2.64333700   -6.15248100
 C                  6.80557000   -1.91312100   -4.20933300
 H                  7.80197800   -1.95589000   -3.78063100
 C                  5.74822500   -1.46181400   -3.42499700
 C                 -6.54972100    1.98245000    0.12776500
 C                 -6.28337200    3.28204400    0.63902900
 C                 -7.20873700    4.26368000    0.35148700
 H                 -7.05688300    5.26774300    0.73733600
 C                 -8.31089700    4.01776900   -0.50971800
 C                 -9.19690800    5.06963100   -0.87133400
 H                 -9.04749900    6.04967000   -0.42574100
 C                -10.20731600    4.86165200   -1.78246800
 H                -10.87339000    5.67459800   -2.05635700
 C                -10.36455500    3.58904900   -2.38200600
 H                -11.14268400    3.43632600   -3.12434300
 C                 -9.53583200    2.54301500   -2.03812900
 H                 -9.66540300    1.57657900   -2.51121800
 C                 -8.50342500    2.71269100   -1.07563100
 C                 -7.62734400    1.64397300   -0.67323400
 C                 -7.82625000    0.22238600   -1.09033500
 C                 -9.06884100   -0.47526200   -0.87928400
 C                -10.17083400    0.09434700   -0.18310500
 H                -10.07900100    1.08928100    0.23466900
 C                -11.34877800   -0.60296100   -0.02432800
 H                -12.17368700   -0.14613600    0.51476200
 C                -11.49254800   -1.90952500   -0.54964800
 H                -12.43048100   -2.44286100   -0.42583200
 C                -10.43346400   -2.50754700   -1.19294000
 H                -10.51762600   -3.52287600   -1.57159800
 C                 -9.19691600   -1.82369000   -1.35445400
 C                 -8.07056600   -2.48929100   -1.90202400
 H                 -8.16617200   -3.53229300   -2.19045800
 C                 -6.83771700   -1.87585800   -1.98831200
 C                 -6.77193000   -0.50184800   -1.62812800
 C                 -4.97480600    3.53469000    1.31236300
 C                 -4.62422100    2.83435500    2.49234600
 C                 -5.55144400    2.01455200    3.21268600
 H                 -6.58988900    1.99610800    2.89719000
 C                 -5.14594800    1.24380000    4.27290700
 H                 -5.86837600    0.62125100    4.79424300
 C                 -3.78455900    1.24733900    4.69964800
 H                 -3.46724600    0.60086300    5.51313500
 C                 -2.87623300    2.06592300    4.08079600
 H                 -1.83772300    2.07123900    4.39354800
 C                 -3.26614800    2.89016000    2.97819900
 C                 -2.33848500    3.71337200    2.33323700
 H                 -1.31736900    3.75010800    2.69950700
 C                 -2.68350700    4.45161200    1.19758000
 C                 -1.70531100    5.25093500    0.52733600
 H                 -0.70859800    5.29890200    0.95503800
 C                 -2.00918000    5.90497000   -0.63618900
 H                 -1.26559600    6.51296800   -1.14308100
 C                 -3.30867900    5.77452600   -1.20445600
 H                 -3.53304800    6.27278500   -2.14348600
 C                 -4.27268100    5.01722200   -0.59099600
 H                 -5.24440800    4.91820500   -1.05884400
 C                 -4.01671700    4.34248800    0.64797500
 C                 -5.58438800   -2.63213700   -2.28002600
 C                 -4.77000700   -2.30794500   -3.39078000
 C                 -5.15436800   -1.33968600   -4.37241500
 H                 -6.12615300   -0.86488900   -4.28918100
 C                 -4.31533400   -1.00326600   -5.40392400
 H                 -4.62722400   -0.26068200   -6.13277900
 C                 -3.03138600   -1.61197300   -5.53068300
 H                 -2.37432300   -1.31686200   -6.34330300
 C                 -2.63500400   -2.56597700   -4.63144800
 H                 -1.66109900   -3.04120400   -4.71486500
 C                 -3.48885800   -2.95600400   -3.55125700
 C                 -3.10717400   -3.96196200   -2.65888400
 H                 -2.14886100   -4.45634800   -2.79126100
 C                 -3.93149900   -4.34256700   -1.59509600
 C                 -3.56196500   -5.41643600   -0.72373400
 H                 -2.64443000   -5.95351300   -0.93731600
 C                 -4.33345600   -5.74968600    0.36019500
 H                 -4.04466900   -6.57098500    1.00988000
 C                 -5.50804800   -4.99587500    0.64947300
 H                 -6.09312900   -5.23417900    1.53308900
 C                 -5.90891200   -3.97540500   -0.17538100
 H                 -6.80722000   -3.42089200    0.06808400
 C                 -5.17167700   -3.63371000   -1.36107800
 C                 -0.29021700   -1.83202900    4.02073400
 C                 -1.10847000   -2.85780000    4.81948900
 C                  0.16661200   -0.72539800    4.99336200
 O                 -0.26118900    0.40834300    5.01636800
 O                 -0.84270600   -4.03538600    4.92987400
 O                  1.11543300   -1.19120000    5.81286700
 O                 -2.18931300   -2.27540700    5.37019600
 C                  1.75673100   -0.20313400    6.64968400
 H                  1.02690700    0.26025200    7.31836300
 H                  2.50774000   -0.75256200    7.21617700
 H                  2.22328700    0.55140000    6.01452900
 C                 -3.06431600   -3.14523600    6.11805500
 H                 -2.52080000   -3.61115200    6.94357200
 H                 -3.86043700   -2.50295600    6.49278900
 H                 -3.47006400   -3.92206800    5.46465100
 C                  0.97374500   -2.49579500    3.39919300
 H                  1.66339400   -1.69699600    3.12122300
 H                  1.45188400   -3.07784100    4.19064200
 C                  0.68685900   -3.36031200    2.20991500
 H                  0.14808800   -4.28537600    2.40521200
 C                  1.05887300   -3.01671800    0.96704000
 H                  1.60283800   -2.08241200    0.83784500
 C                  0.83018200   -3.77234800   -0.26963300
 C                  1.36677000   -3.25170100   -1.45882000
 C                  0.13917100   -4.99768400   -0.33604500
 C                  1.22052100   -3.91264300   -2.67723800
 H                  1.93357200   -2.33291100   -1.40274100
 C                  0.01909600   -5.67825400   -1.54635300
 H                 -0.28043100   -5.43506300    0.56563300
 C                  0.55080000   -5.13783400   -2.72506800
 H                  1.63923900   -3.47263900   -3.57809800
 H                 -0.48667900   -6.64062900   -1.57563400
 H                  0.44806700   -5.67295000   -3.66549700
 C                 -1.20419100   -1.15758900    2.95120300
 H                 -1.91748900   -0.49557200    3.44915500
 H                 -0.56740300   -0.54696200    2.30509800
 C                 -1.93478500   -2.14109300    2.15426000
 C                 -2.55354400   -3.02002700    1.54835300
 H                 -2.84234800   -3.99048900    1.18127600
 H                  5.92788200   -1.13985000   -2.40309200
 S                  2.33342400    1.12870300    2.32110600
 O                  4.85848900    1.25608800   -0.91353800
 O                  5.60792600    0.06556800    1.16787300
 O                  2.79497600    0.64349300    3.63589300
 O                  1.20141400    0.39747300    1.71160000
 P                  4.23753600    0.45422400    0.36693400
 C                  5.91241000    2.14908700   -0.78007600
 C                  5.61784700    3.51958700   -1.01955300
 C                  3.52321000    3.51125000   -2.43114200
 C                  4.10860400    2.63818500   -3.40461100
 H                  5.14154400    2.33086100   -3.28653800
 C                  3.38318800    2.16826100   -4.46746100
 H                  3.84091100    1.47864500   -5.17093400
 C                  2.01927600    2.54317600   -4.64179600
 H                  1.45174100    2.12307300   -5.46583600
 C                  1.42970300    3.40684900   -3.75879300
 H                  0.39105400    3.70420300   -3.88035900
 C                  2.15680400    3.93033000   -2.64309100
 C                  1.57429100    4.84909100   -1.76412400
 H                  0.55160700    5.17279800   -1.94069200
 C                  2.26980600    5.34744000   -0.65866400
 C                  1.69001500    6.32448200    0.21174900
 H                  0.71810400    6.73386500   -0.04601400
 C                  2.34168700    6.74909500    1.33855300
 H                  1.88616900    7.48949900    1.99045500
 C                  3.61747800    6.20702400    1.66472700
 H                  4.10980600    6.51133700    2.58414600
 C                  4.22516100    5.30064600    0.83555100
 H                  5.18924500    4.88957900    1.10890500
 C                  3.60170000    4.86128800   -0.37863600
 C                  7.42441400    0.20673200   -0.38033200
 C                  8.43301400   -0.46411300   -1.15672700
 C                  9.19341800    0.18370400   -2.16987300
 H                  9.00234200    1.22668600   -2.39111100
 C                 10.15558300   -0.49830800   -2.88274900
 H                 10.71688300    0.01763800   -3.65653700
 C                 10.41030900   -1.86761600   -2.62643600
 H                 11.17571500   -2.39125900   -3.19195800
 C                  9.66768800   -2.53485000   -1.67875400
 H                  9.82912800   -3.59365000   -1.49322500
 C                  8.65507500   -1.86360300   -0.93871400
 C                  7.82356000   -2.57318500   -0.03679100
 H                  7.97834800   -3.64109000    0.08806300
 C                  6.77296100   -1.96581800    0.62247500
 C                  6.61851700   -0.56257600    0.44663400
 C                  1.65084300    2.83229700    2.63196400
 F                  2.58777400    3.65414200    3.10431100
 N                  3.49173400    1.52164200    1.31020600
 F                  1.13481900    3.34632200    1.50361100
 F                  0.66534100    2.73443900    3.54055100
 C                  6.66401800    4.41771500   -0.95221200
 H                  6.47215400    5.46905700   -1.14773300
 C                  7.97036500    4.01805500   -0.57423600
 C                  9.01271000    4.97337300   -0.42092800
 H                  8.79635700    6.01613200   -0.63960100
 C                 10.26197800    4.59291000    0.01323400
 H                 11.04919500    5.33170800    0.13371100
 C                 10.51532300    3.23455700    0.32311800
 H                 11.49353900    2.94063700    0.69334200
 C                  9.53133500    2.28250000    0.16748700
 H                  9.73915700    1.24891500    0.41841700
 C                  8.23719200    2.63534000   -0.30628300
 C                  7.18515100    1.67360700   -0.49609900
 C                  4.22180000    3.96857900   -1.28796700
 O                  3.49841500   -0.71819900   -0.20502900
 C                  5.78545600   -2.76554600    1.40256800
 C                  5.03946800   -3.76380600    0.72320600
 C                  5.57720500   -2.53260100    2.78258500
 C                  4.12435900   -4.59478600    1.47117300
 C                  5.11586000   -3.97806500   -0.69253600
 C                  4.59407800   -3.31552000    3.49622800
 C                  6.30269300   -1.54561100    3.52465300
 C                  3.41357200   -5.63657400    0.79739100
 C                  3.91884500   -4.34176000    2.83019600
 C                  4.39956600   -4.97382800   -1.30432500
 H                  5.73290200   -3.32623200   -1.29757600
 C                  4.33753700   -3.02964800    4.87490900
 C                  6.03086100   -1.30301300    4.84569900
 H                  7.07689800   -0.97431600    3.02534300
 C                  3.55334000   -5.83348600   -0.54944000
 H                  2.72967700   -6.24957300    1.37903800
 H                  3.19744100   -4.94509300    3.37663100
 H                  4.46024800   -5.09240400   -2.38241000
 H                  3.57955300   -3.61457800    5.38997300
 C                  5.02427600   -2.04380100    5.53090100
 H                  6.58645100   -0.53641700    5.37868400
 H                  2.97981000   -6.60405900   -1.05497800
 H                  4.81710000   -1.83060800    6.57601800

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

-Au -Ag
SDD











