%nprocshared=24
%mem=41GB
#p opt=(loose,modredundant) b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose scan with loosened everything

0 1
 C                 -3.50546008    4.05107687    1.86459811
 C                 -2.77958840    4.26377706    0.62424710
 C                 -3.47830365    4.57986961   -0.54669245
 C                 -4.92734670    4.67961527   -0.52590910
 C                 -5.62139740    4.46971697    0.66742694
 C                 -4.89647937    4.15395127    1.88677119
 C                 -2.83939465    2.99518513    2.60601038
 C                 -1.70060205    2.54984488    1.84099190
 C                 -1.66490314    3.34123669    0.58925680
 C                 -1.28769781    2.75950707   -0.60285102
 C                 -3.09362061    3.95669816   -1.78994576
 C                 -5.43642073    4.12494831   -1.76973850
 C                 -6.61858097    3.37723908   -1.76594934
 C                 -7.34515574    3.16825388   -0.52762979
 C                 -6.85158516    3.69808634    0.66815825
 C                 -6.89786259    2.91734400    1.89236824
 C                 -5.68763289    3.19398013    2.64373913
 C                 -5.05196809    2.17426197    3.35240039
 C                 -3.60549664    2.07529254    3.33961756
 C                 -1.37615471    1.20699732    1.81961283
 C                 -2.18302151    0.26494821    2.52276875
 C                 -3.26674032    0.67548384    3.29757415
 C                 -4.49799695   -0.11029064    3.32539991
 C                 -5.59720903    0.81894129    3.33318869
 C                 -6.77589390    0.55483587    2.61703648
 C                 -7.41823074    1.61901625    1.87294447
 C                 -7.92353612    1.06365888    0.62613172
 C                 -7.88756998    1.82030513   -0.54653673
 C                 -4.30104514    3.67114830   -2.54984672
 C                 -6.02073685   -0.60272969   -2.60966868
 C                 -5.26885206    0.32096790   -3.33877780
 C                 -3.81900664    0.22760086   -3.33442427
 C                 -3.17093312   -0.77508532   -2.60495837
 C                 -3.95945873   -1.73342242   -1.84915357
 C                 -6.08830092   -1.87565484   -0.64095662
 C                 -7.20345336   -0.94569224   -0.60928843
 C                 -7.16171363   -0.15706419   -1.83184819
 C                 -7.49867408    1.19791287   -1.80080806
 C                 -6.71585182    2.16117184   -2.55554565
 C                 -5.62075199    1.72875005   -3.30880742
 C                 -3.28057603    1.56441891   -3.31912685
 C                 -2.12744403    1.82368898   -2.57417568
 C                 -1.44200808    0.77237254   -1.86353514
 C                 -1.94813223   -0.50371493   -1.89244532
 C                 -3.24702096   -2.10385099   -0.66570801
 C                 -3.93896773   -2.26172395    0.53270840
 C                 -5.39067084   -2.16176957    0.53685154
 C                 -7.57444584   -0.34534354    0.59461541
 C                 -6.85564412   -0.65445133    1.82195910
 C                 -5.78183541   -1.54896511    1.78700625
 C                 -4.56084938   -1.27097729    2.53694672
 C                 -3.42959488   -1.77177324    1.79476228
 C                 -2.26264500   -0.94969317    1.69836080
 C                 -1.43018199   -0.82392654    0.59039430
 C                 -0.70364349    0.51727638    0.64408880
 C                 -0.66798248    1.36944480   -0.69716142
 C                 -4.38925066    2.50208911   -3.30621105
 C                 -2.03297523    3.04353041   -1.79590581
 C                 -5.36325440   -1.66891583   -1.87382269
 C                 -1.80098514   -1.51374900   -0.72275297
 C                 -0.88152202   -2.61932719   -1.07861214
 C                  3.93558006    1.95325561    3.29013511
 C                  5.38700334    1.93210290    3.29630421
 C                  6.10282972    2.85270500    2.52829209
 C                  5.39418984    3.83370477    1.72188617
 C                  3.99995989    3.84227928    1.70459155
 C                  3.25197803    2.88393701    2.49924710
 C                  3.46765614    0.58832419    3.33666422
 C                  4.62729432   -0.29119837    3.37346032
 C                  5.81616876    0.54332569    3.34819342
 C                  6.94082113    0.13311109    2.62953477
 C                  7.27241848    2.42651641    1.78522820
 C                  6.13578401    4.02266234    0.48487274
 C                  5.45217011    4.22761358   -0.71508143
 C                  4.00080925    4.25203724   -0.72896620
 C                  3.28605091    4.05341305    0.45801247
 C                  2.09569010    3.23221104    0.47075990
 C                  2.07202548    2.49615500    1.75632796
 C                  1.61001559    1.19717332    1.81897844
 C                  2.33743713    0.22700026    2.59505556
 C                  4.60994654   -1.50323889    2.68392139
 C                  3.43062618   -1.88871701    1.92358230
 C                  2.32174298   -1.03487558    1.87357472
 C                  1.58259607   -0.84204421    0.65253319
 C                  0.89299497    0.51033461    0.66718384
 C                  0.91505429    1.30952008   -0.71456379
 C                  1.65754198    2.63535719   -0.69229583
 C                  2.41238727    2.79882607   -1.90369484
 C                  3.55357730    3.60688707   -1.94001092
 C                  7.29326479    3.15022447    0.52193848
 C                  5.86166941    1.09017230   -3.34454099
 C                  6.99271331    1.45753223   -2.61304295
 C                  7.69136086    0.46995197   -1.80943821
 C                  7.23139456   -0.84764242   -1.76709158
 C                  6.05463095   -1.22891784   -2.52321705
 C                  3.92890277   -0.24700662   -3.30680721
 C                  3.51294008    1.13420066   -3.35730111
 C                  4.70475854    1.96821220   -3.38177870
 C                  4.72445108    3.17709329   -2.68768976
 C                  5.90134906    3.56203058   -1.92785715
 C                  7.01356831    2.71957802   -1.89065129
 C                  8.14426975    1.11978893   -0.59119483
 C                  8.12486888    0.42678828    0.61964437
 C                  7.65180786   -0.94646403    0.66515995
 C                  7.21120058   -1.57097852   -0.50354192
 C                  6.02151246   -2.39937892   -0.47794132
 C                  5.30142755   -2.18312810   -1.72415544
 C                  3.90708398   -2.13737351   -1.72252418
 C                  3.20115802   -1.15346283   -2.52681894
 C                  2.38916431    1.53918955   -2.62761307
 C                  1.61489564    0.59616473   -1.86496694
 C                  2.03097832   -0.71767341   -1.79412343
 C                  2.01964562   -1.44780181   -0.50456085
 C                  3.17493589   -2.31698421   -0.48009540
 C                  3.86810522   -2.54681580    0.71485468
 C                  5.31881720   -2.57969484    0.71632585
 C                  5.77948934   -1.93160799    1.93522132
 C                  6.92106408   -1.12889497    1.90717958
 C                  7.72472908    2.51038294   -0.64182712
 C                  7.68435255    1.09346841    1.83338785
 C                  5.38106940   -0.28176082   -3.29791639
 N                 -0.21729325   -3.54621130   -1.30757991
 K                  1.90773080   -5.42738230   -1.48560656
 N                  1.63519350   -5.64557093    1.35800451
 C                 -0.21277642   -7.22642837   -2.27056144
 K                 -0.24030794   -3.78974081    2.34554170
 C                  1.34805885   -6.77981559    1.51097185
 N                 -1.31934180   -7.47779740   -1.94783260
 C                 -2.43294257   -5.57931316    1.86225763
 K                 -0.99910989   -8.35860964    0.82379712
 K                 -3.20360954   -5.45945949   -1.40917030
 N                 -3.06733433   -6.36490216    1.25283642

15 61 S 11 -0.041

C N 0
6-31G(d)
****
K 0
LanL2DZ
****

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



