%nprocshared=36
%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                 -3.98464045    4.41405426    0.62311381
 C                 -3.05516070    4.12666925   -0.45861060
 C                 -3.53878799    3.89313199   -1.75136893
 C                 -4.96874403    3.91270470   -2.00426929
 C                 -5.85888680    4.17985275   -0.96450471
 C                 -5.35672190    4.44067784    0.37531720
 C                 -3.47650329    3.79942842    1.83725591
 C                 -2.23857891    3.12357652    1.50644871
 C                 -1.96888279    3.33365154    0.07007970
 C                 -1.40158548    2.32878176   -0.69103703
 C                 -2.95863255    2.83359259   -2.54016689
 C                 -5.26959056    2.86095326   -2.96522082
 C                 -6.44940642    2.12288236   -2.84771635
 C                 -7.37644097    2.40368929   -1.76494414
 C                 -7.08461513    3.41116177   -0.84102261
 C                 -7.34398143    3.20064901    0.57193952
 C                 -6.27770119    3.83962082    1.32658579
 C                 -5.79299838    3.24796960    2.49208012
 C                 -4.36528918    3.22992656    2.75750817
 C                 -1.94093056    1.90781307    2.09268137
 C                 -2.84496526    1.31793513    3.05219693
 C                 -4.04187203    1.96031047    3.37940259
 C                 -5.26135578    1.18852305    3.49734198
 C                 -6.34804507    1.98115933    2.94896595
 C                 -7.36581475    1.36560862    2.22185314
 C                 -7.87664247    1.98761674    1.01050989
 C                 -8.17198166    0.93742410    0.05291645
 C                 -7.92893416    1.14212706   -1.30853846
 C                 -4.02559398    2.19238497   -3.29387490
 C                 -5.78550541   -1.81106484   -1.85312755
 C                 -4.90605269   -1.22990454   -2.76644276
 C                 -3.47476345   -1.24311915   -2.50649085
 C                 -2.98213124   -1.82026903   -1.33146738
 C                 -3.89555573   -2.43144812   -0.38220626
 C                 -6.19439379   -2.15494908    0.43251377
 C                 -7.28456609   -1.35822056   -0.10285360
 C                 -7.03024079   -1.14598650   -1.51995258
 C                 -7.34695654    0.07957224   -2.11026828
 C                 -6.43282032    0.68627133   -3.06199131
 C                 -5.23453089    0.04349523   -3.38378505
 C                 -2.92447122    0.01172340   -2.95695273
 C                 -1.91067603    0.62214623   -2.21012454
 C                 -1.37687460   -0.00767671   -1.03335003
 C                 -1.89009715   -1.21266035   -0.62004063
 C                 -3.39886583   -2.21990231    0.94546544
 C                 -4.27716171   -1.91592927    1.96847117
 C                 -5.70119543   -1.89251233    1.71662369
 C                 -7.83999317   -0.33577671    0.66567093
 C                 -7.33723638   -0.07133415    2.00566792
 C                 -6.28847310   -0.83303726    2.51956313
 C                 -5.22782910   -0.19589420    3.28266745
 C                 -3.98119177   -0.85582893    2.95673052
 C                 -2.82093666   -0.11294132    2.82496859
 C                 -1.86791438   -0.37065469    1.74269056
 C                 -1.37370257    0.82172364    1.28832632
 C                 -0.80158909    1.05285189   -0.08496045
 C                 -4.00791322    0.81256357   -3.50264552
 C                 -1.92365204    2.05940989   -1.99887364
 C                 -5.27214330   -2.43279544   -0.64134495
 C                 -1.96369495   -1.61735553    0.87426215
 C                  4.50225238    4.45119299   -0.72784809
 C                  5.91173478    4.16012547   -0.86704069
 C                  6.38401879    3.38122735   -1.93111439
 C                  5.43733105    2.82820882   -2.87995294
 C                  4.07040624    3.08329976   -2.74113594
 C                  3.57909662    3.90723151   -1.64049293
 C                  4.18154834    4.42811191    0.68742660
 C                  5.40032224    4.14898310    1.42926676
 C                  6.47373010    3.98095474    0.46532446
 C                  7.46351739    3.02355318    0.68541757
 C                  7.40802253    2.37881179   -1.69403867
 C                  5.89013772    1.49463358   -3.25042083
 C                  4.96278385    0.47665385   -3.48321834
 C                  3.54306652    0.74889463   -3.34329224
 C                  3.11026214    2.02811709   -2.97167718
 C                  2.02928792    2.19426416   -2.01442941
 C                  2.30645484    3.39051540   -1.21024947
 C                  2.02219690    3.31937438    0.16698290
 C                  2.97353198    3.88788550    1.12485675
 C                  5.35639856    3.34854490    2.57205067
 C                  4.09132681    2.79218335    3.02354445
 C                  2.92845385    3.06120620    2.30493904
 C                  1.94856225    2.00093399    2.04928434
 C                  1.35818489    2.21440233    0.77346277
 C                  0.80840964    1.06933744   -0.04926963
 C                  1.40994291    1.08218759   -1.46962204
 C                  1.90026260   -0.22659036   -1.80760994
 C                  2.91959230   -0.41145460   -2.75262586
 C                  7.11175297    1.21694828   -2.51947797
 C                  5.12916083   -2.49849669   -0.64110570
 C                  6.34555050   -1.96289412   -1.07238223
 C                  7.28280442   -1.41584173   -0.10595479
 C                  6.96999068   -1.42681654    1.25675924
 C                  5.70297815   -1.97373013    1.70404868
 C                  3.38293212   -2.22674182    0.91200994
 C                  2.83422635   -2.04674912   -0.41208231
 C                  3.91191227   -2.21417348   -1.37891477
 C                  3.95389407   -1.41583135   -2.51996523
 C                  5.21735961   -0.86302511   -2.97350891
 C                  6.39040473   -1.12953358   -2.26244282
 C                  7.91291859   -0.25091290   -0.70125281
 C                  8.18895664    0.86688398    0.09191065
 C                  7.86920768    0.85678449    1.50837464
 C                  7.26486067   -0.26335322    2.08083302
 C                  6.19432019   -0.10532934    3.04992975
 C                  5.22143384   -1.15184357    2.80711274
 C                  3.85396262   -0.88486768    2.93068189
 C                  2.92243924   -1.42647339    1.96784256
 C                  1.86061006   -1.05926008   -0.61282175
 C                  1.34434196   -0.27743713    0.47508340
 C                  1.88932018   -0.43070272    1.73954401
 C                  2.15855615    0.72128236    2.60441873
 C                  3.38818510    0.44953706    3.30248599
 C                  4.33771953    1.45947738    3.54574804
 C                  5.74720725    1.17810140    3.39166359
 C                  6.38351726    2.34715771    2.79851824
 C                  7.41731975    2.18972930    1.87593266
 C                  7.35578500   -0.06892356   -2.03005536
 C                  7.94344801    2.20464369   -0.41696665
 C                  4.80314671   -2.50830018    0.77799941
 C                 -0.93796647   -2.61923839    1.21622027
 N                 -0.14943320   -3.42917527    1.48028028
 K                  2.11588785   -5.24040325    1.52864473
 N                  0.02777423   -7.07549918    2.31168455
 K                 -2.49894881   -5.80642148    2.00669848
 C                 -0.06310336   -7.90690506    1.47897218
 C                 -2.28451992   -5.53273522   -0.84627140
 K                  0.00976681   -7.81193254   -1.42894456
 K                  0.13351789   -3.44409150   -2.72048814
 N                 -1.70930234   -5.34562708   -1.85781370
 N                  2.37221002   -6.13448697   -1.12974581
 C                  2.07877763   -5.40298511   -2.00692686

28 102 S 11 -0.06374107

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


