%nprocshared=12
%mem=24GB
#p opt=(calcfc,ts,noeigentest) freq b3lyp/genecp
scrf=(smd,solvent=dichloromethane) nosymm pop=full empiricaldispersion=gd3
gfinput gfprint iop(1/8=5) scf=(maxcyc=400,xqc)

TS0-40nF-Cu+_PhINTs-fromTS0Cl

1 1
 C                 -1.41071400   -1.66071400    0.00000000
 C                 -0.49480000   -2.07125200   -1.13302200
 C                 -0.66171500   -1.71452600    1.32237700
 C                 -1.82245600   -0.22819100   -0.29594100
 C                 -2.08955100    0.34259500   -1.52514000
 H                 -2.08800900   -0.04639800   -2.53144600
 C                 -0.68584400   -2.90200800   -2.21025300
 H                 -1.49348400   -3.55711800   -2.49398500
 C                 -0.99456400   -2.30561700    2.52260500
 H                 -1.84289600   -2.88973600    2.83514900
 N                  0.02249100   -1.97893400    3.35605100
 N                 -2.32138500    1.64221200   -1.24696500
 N                  0.42515700   -2.72422900   -2.97476200
 N                 -1.91042000    0.74361000    0.65672600
 N                 -2.20565100    1.87967500    0.07874000
 N                  1.26148200   -1.84109300   -2.43338800
 N                  0.69998400   -1.44810000   -1.31507000
 N                  0.53891200   -1.09889600    1.51094100
 N                  0.95351700   -1.25609500    2.74173900
 Cu                 1.60893000   -0.25737300    0.02691100
 O                 -2.47942300   -2.59564200    0.00303100
 C                 -3.71700000   -2.13769800    0.56443100
 H                 -4.21978200   -1.43015100   -0.10502400
 H                 -4.33474600   -3.03113200    0.67319100
 H                 -3.57793800   -1.66474500    1.54327100
 C                  0.67070500   -3.22343800   -4.33759200
 H                  1.73808900   -3.07538200   -4.51870400
 H                  0.45859800   -4.29442900   -4.34139900
 C                 -2.51730100    2.74196000   -2.19455800
 H                 -3.46802400    2.58988600   -2.71295000
 H                 -2.60473700    3.64393300   -1.58206100
 C                  0.22215800   -2.39775800    4.76065400
 H                  0.41987100   -1.49182300    5.33650500
 H                 -0.72460400   -2.82191600    5.08521700
 C                 -0.19022200   -2.47494700   -5.33619900
 C                 -0.08879500   -1.07951100   -5.44320300
 C                 -1.10802000   -3.16286600   -6.13636300
 C                 -0.89927100   -0.38361300   -6.33995600
 H                  0.61846600   -0.53687000   -4.82047000
 C                 -1.91364700   -2.46549600   -7.04192300
 H                 -1.19333900   -4.24347100   -6.05204000
 C                 -1.81292300   -1.07657300   -7.14212900
 H                 -0.81641600    0.69688400   -6.40984000
 H                 -2.62245500   -3.01372100   -7.66156700
 H                 -2.44350600   -0.53985600   -7.84143600
 C                  1.36116600   -3.38602100    4.87415800
 C                  1.19025800   -4.70155000    4.42012100
 C                  2.60508100   -2.98445000    5.37273700
 C                  2.26216400   -5.60077900    4.45585400
 H                  0.22442100   -5.02193800    4.03137600
 C                  3.67140600   -3.88137400    5.41437600
 H                  2.73666600   -1.96241000    5.71461300
 C                  3.50542600   -5.18771100    4.94627700
 H                  2.12480700   -6.61789300    4.09922100
 H                  4.63525300   -3.55948100    5.79788200
 H                  4.33579700   -5.88802400    4.97168200
 C                 -1.36920400    2.84066700   -3.18310300
 C                 -1.62565500    3.19435600   -4.51250600
 C                 -0.04913600    2.59349800   -2.78118200
 C                 -0.57551200    3.30796100   -5.42841200
 H                 -2.64802400    3.37322700   -4.83386800
 C                  0.99765700    2.68977900   -3.69941700
 H                  0.16987800    2.31616300   -1.75438400
 C                  0.73780900    3.04957700   -5.02589000
 H                 -0.78653200    3.57966900   -6.45778300
 H                  2.01215100    2.48056100   -3.37242400
 H                  1.55212100    3.12570300   -5.74140200
 N                  2.87579000    0.63119200    1.11718100
 I                  5.08824000   -0.97275800    2.78569300
 S                  3.41362500    1.60700000   -0.03602100
 C                  4.32217200   -2.29816700    1.33184900
 O                  2.32850800    1.19035400   -1.08088900
 O                  3.52671400    3.03468200    0.27977000
 C                  4.94543000    1.10276900   -0.78670500
 C                  4.84707000   -2.26797400    0.03358100
 C                  3.27651300   -3.15696800    1.66269500
 C                  4.92705400    0.37047800   -1.97787400
 C                  6.14788200    1.40003500   -0.13603000
 C                  4.28547900   -3.09264800   -0.94553300
 H                  5.66959600   -1.60910700   -0.21542900
 C                  2.73037600   -3.98496800    0.67890700
 H                  2.87790600   -3.17899200    2.66958500
 C                  6.13425000   -0.05750400   -2.52968800
 H                  3.98389100    0.13461100   -2.46537500
 C                  7.34003300    0.93984800   -0.68687900
 H                  6.15319200    1.96708100    0.78563900
 C                  3.22782300   -3.94931500   -0.62875400
 H                  4.68296700   -3.06003100   -1.95811200
 H                  1.91292500   -4.65228900    0.93839500
 C                  7.35742900    0.21047700   -1.89325100
 H                  6.12755900   -0.61443300   -3.45957700
 H                  8.27885000    1.15340700   -0.18080000
 H                  2.79041400   -4.58149900   -1.39636900
 C                  8.66314900   -0.24425700   -2.48801700
 H                  9.23323700    0.65848600   -2.91010100
 H                  9.31624900   -0.72549100   -1.68768300
 H                  8.47899600   -0.99203000   -3.33216400

-Cu 0
LANL2DZ
****
-N -C -H -O -Cl -S -B 0
6-31g*
****
-I     0
LANL2DZ
D   1   1.00
      0.2940000              1.0000000
****

-Cu -I 0
LANL2DZ







