%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                 -3.70111421    4.46638488    0.31295093
 C                 -2.91177779    4.06593326   -0.84027945
 C                 -3.54353712    3.77661206   -2.05551077
 C                 -4.99003628    3.85206095   -2.15645366
 C                 -5.74685398    4.22733453   -1.04524360
 C                 -5.09017907    4.54637515    0.21207492
 C                 -3.08570693    3.90787885    1.50365079
 C                 -1.91642291    3.16234337    1.09795114
 C                 -1.80952835    3.25529525   -0.37623304
 C                 -1.37022635    2.18368996   -1.12507907
 C                 -3.09943997    2.64291395   -2.82833560
 C                 -5.43937172    2.76021427   -3.00632929
 C                 -6.62731716    2.08737062   -2.70666907
 C                 -7.41830355    2.48361847   -1.55578604
 C                 -6.98219917    3.52980521   -0.73756946
 C                 -7.09768341    3.42747934    0.70637965
 C                 -5.92768754    4.05510653    1.29537464
 C                 -5.34024820    3.51212932    2.43861354
 C                 -3.89585637    3.44365522    2.55164652
 C                 -1.60946754    1.97405775    1.73081066
 C                 -2.44577025    1.48345572    2.79213582
 C                 -3.56463769    2.20073876    3.21078904
 C                 -4.80095723    1.49951472    3.53140540
 C                 -5.89659408    2.30422089    3.04090301
 C                 -7.02740531    1.70333523    2.47600820
 C                 -7.62966337    2.27152595    1.28304440
 C                 -8.07255410    1.17879447    0.43376285
 C                 -7.97109211    1.28243649   -0.95583369
 C                 -4.26885364    2.00861220   -3.41751540
 C                 -6.02424751   -1.80139470   -1.51543931
 C                 -5.22721911   -1.32633379   -2.55932942
 C                 -3.78051106   -1.38874840   -2.44715349
 C                 -3.18172521   -1.91234708   -1.29488973
 C                 -4.01356413   -2.40497472   -0.21021714
 C                 -6.19824555   -1.97577796    0.81744677
 C                 -7.30621634   -1.16336927    0.34627526
 C                 -7.19753807   -1.05626193   -1.10132037
 C                 -7.52502817    0.14283580   -1.73881823
 C                 -6.69543518    0.64068430   -2.82202627
 C                 -5.56791054   -0.08068788   -3.22382681
 C                 -3.23079282   -0.19552905   -3.04254742
 C                 -2.11250896    0.40825128   -2.45722854
 C                 -1.47599621   -0.16908930   -1.30198288
 C                 -1.99334894   -1.31589563   -0.74630000
 C                 -3.36595395   -2.14262215    1.03793402
 C                 -4.11613600   -1.72768621    2.13186401
 C                 -5.56083328   -1.65405275    2.02112996
 C                 -7.73267333   -0.06754760    1.09656226
 C                 -7.07958363    0.25889914    2.35575971
 C                 -6.01229518   -0.52176902    2.80694638
 C                 -4.84033202    0.10458496    3.39980532
 C                 -3.66827594   -0.65851473    3.02126861
 C                 -2.50467775    0.03290706    2.64658858
 C                 -1.65813047   -0.34238131    1.56397128
 C                 -1.03738177    0.81033264    1.01175838
 C                 -0.74803007    0.91560523   -0.50834320
 C                 -4.33117884    0.61913523   -3.52917621
 C                 -2.04574179    1.85529260   -2.34596346
 C                 -5.41157812   -2.37056216   -0.32679369
 C                 -1.92101626   -1.61609863    0.77276110
 C                  4.06312336    3.70859624    2.17936607
 C                  5.50746982    3.70492300    2.06590679
 C                  6.12525503    4.04911699    0.85968409
 C                  5.31057245    4.39405148   -0.29214367
 C                  3.91884584    4.37745854   -0.19285993
 C                  3.27212156    4.02463815    1.06343411
 C                  3.67989091    2.59358861    3.01835713
 C                  4.88819829    1.90001725    3.44030170
 C                  6.02105152    2.58952378    2.84837416
 C                  7.11972590    1.86090961    2.39074454
 C                  7.26551489    3.28804871    0.38506414
 C                  5.95838360    3.86086883   -1.48173502
 C                  5.18962765    3.34942081   -2.52917854
 C                  3.74143346    3.34498533   -2.42908921
 C                  3.11985192    3.84237579   -1.27708934
 C                  1.98338581    3.15639121   -0.70149778
 C                  2.06714992    3.28646730    0.76709862
 C                  1.70641943    2.20106734    1.56545679
 C                  2.53323159    1.85961910    2.71169863
 C                  4.89802471    0.50905846    3.55179247
 C                  3.69817446   -0.25332337    3.24448896
 C                  2.54672842    0.41691431    2.82319284
 C                  1.73793447   -0.10393961    1.74014261
 C                  1.07884044    0.99261256    1.04101975
 C                  0.82237499    0.88649260   -0.49243206
 C                  1.50040206    2.00581738   -1.29164048
 C                  2.16740633    1.46508347   -2.44144446
 C                  3.25428024    2.12573303   -3.02682795
 C                  7.16556252    3.17562330   -1.06335085
 C                  5.61179660   -0.71918935   -2.97602564
 C                  6.76488334    0.00967291   -2.67614646
 C                  7.56937987   -0.34634170   -1.52043893
 C                  7.19137496   -1.41924980   -0.70916477
 C                  5.99175072   -2.17237575   -1.01701719
 C                  3.76917667   -1.82735124   -2.02891708
 C                  3.26686996   -0.71976122   -2.80664462
 C                  4.40566793   -0.02814187   -3.39796102
 C                  4.39877919    1.36157261   -3.50205240
 C                  5.59769714    2.12164910   -3.19440831
 C                  6.75761422    1.45941263   -2.78794916
 C                  8.06317267    0.88097678   -0.92071852
 C                  8.15587121    0.98898109    0.46870754
 C                  7.76752130   -0.12674083    1.31413365
 C                  7.29161479   -1.30630782    0.73930814
 C                  6.15933073   -1.99780593    1.32760067
 C                  5.34923877   -2.52398693    0.24193616
 C                  3.95698849   -2.50835840    0.33886947
 C                  3.15220943   -2.14871192   -0.81381025
 C                  2.17125271    0.01413378   -2.32972611
 C                  1.50195547   -0.34968585   -1.10790169
 C                  2.00915743   -1.38932079   -0.34887863
 C                  2.10353344   -1.29273378    1.12292845
 C                  3.30827248   -1.97312258    1.53006490
 C                  4.09440918   -1.48011340    2.58615873
 C                  5.53945332   -1.47961582    2.46998214
 C                  6.03912620   -0.25104731    3.07166323
 C                  7.12723047    0.41120756    2.50267464
 C                  7.55812273    1.99692554   -1.70165527
 C                  7.75683337    2.21716826    1.13394833
 C                  5.21759599   -1.83489277   -2.12997355
 C                 -0.94127704   -2.68066056    1.06363048
 N                 -0.19669856   -3.53804130    1.30777894
 K                  1.86905625   -5.42106802    1.74312065
 N                 -0.48159414   -7.03759016    2.39704298
 K                 -2.88441684   -5.62202048    1.73265538
 C                 -0.45545736   -7.84466494    1.53642722
 C                 -2.43965012   -5.61290065   -1.10876023
 K                 -0.11630760   -7.93773824   -1.34585064
 K                  0.13630542   -3.59719477   -2.64281320
 N                 -1.77566709   -5.55621823   -2.08143033
 C                  2.03035037   -5.53582431   -1.73668462
 N                  2.29431311   -6.32327388   -0.89933515

55 84 F
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


