%nprocshared=28
%mem=41GB
#p opt=(qst3,calcfc,noeigentest,maxstep=15) freq=noraman b3lyp 6-31g(d) scrf=(pcm,solvent=generic,read) nosymm empiricaldispersion=gd3 scf=maxcyc=512

sm

-1 2
 C                 -3.94511890    2.93403573    1.83953434
 C                 -3.01254141    3.04949317    0.73640948
 C                 -3.48135122    3.31150322   -0.55618967
 C                 -4.90691876    3.45590178   -0.79320370
 C                 -5.80541693    3.34033859    0.26970010
 C                 -5.31550588    3.08006278    1.61554929
 C                 -3.45131821    1.90136095    2.74337216
 C                 -2.21134101    1.39082189    2.21450532
 C                 -1.94714759    2.08919624    0.94973481
 C                 -1.39026245    1.42298495   -0.12743725
 C                 -2.90923406    2.60443987   -1.67757622
 C                 -5.21505992    2.83454168   -2.07198438
 C                 -6.40976961    2.13049956   -2.23756620
 C                 -7.34481008    2.01608931   -1.13159939
 C                 -7.04798002    2.61193462    0.09710370
 C                 -7.32406051    1.89994908    1.33645516
 C                 -6.26004459    2.19866264    2.27787874
 C                 -5.78740126    1.20031568    3.13774167
 C                 -4.36975909    1.05569410    3.38979916
 C                 -1.94894656    0.01117237    2.27659931
 C                 -2.89677925   -0.87337146    2.95500413
 C                 -4.07788417   -0.36403183    3.49021366
 C                 -5.32069549   -1.09893494    3.31640426
 C                 -6.37989246   -0.12945090    3.09642555
 C                 -7.40560253   -0.41121173    2.19395184
 C                 -7.88976496    0.62439922    1.29487905
 C                 -8.19220476    0.00433804    0.01686673
 C                 -7.93164316    0.68796957   -1.17451022
 C                 -3.97820218    2.30659904   -2.62051406
 C                 -5.82730903   -1.90864066   -2.74574166
 C                 -4.92538920   -1.05443298   -3.38395831
 C                 -3.50005573   -1.19509519   -3.14368479
 C                 -3.03476536   -2.18199447   -2.26748451
 C                 -3.97063945   -3.07264548   -1.61091577
 C                 -6.28295811   -3.06733300   -0.74694080
 C                 -7.34103909   -2.09587726   -0.95921623
 C                 -7.06447203   -1.38501485   -2.19896290
 C                 -7.35323715   -0.02173199   -2.30238926
 C                 -6.41475853    0.87015486   -2.96170195
 C                 -5.22488906    0.36528743   -3.49090811
 C                 -2.91916381    0.12605279   -3.09967330
 C                 -1.90551499    0.39748662   -2.17167046
 C                 -1.39627035   -0.62689525   -1.30188143
 C                 -1.96464097   -1.88910897   -1.33332570
 C                 -3.47503745   -3.33693744   -0.26543275
 C                 -4.38980285   -3.46461015    0.79412478
 C                 -5.80785424   -3.31043003    0.54686171
 C                 -7.89867268   -1.41399975    0.12379149
 C                 -7.41104198   -1.67201890    1.46958484
 C                 -6.39150868   -2.60093769    1.67698741
 C                 -5.32623323   -2.30969767    2.62114587
 C                 -4.08930414   -2.83762963    2.06903747
 C                 -2.90257385   -2.12588181    2.23533907
 C                 -1.96095177   -1.99068462    1.12567522
 C                 -1.36058360   -0.69714092    1.18877639
 C                 -0.82968308    0.00324677   -0.02488868
 C                 -3.98279325    1.09753314   -3.31464979
 C                 -1.90139772    1.65903941   -1.44798320
 C                 -5.34092107   -2.94362662   -1.84508623
 C                 -2.23072277   -2.63031644   -0.09426454
 C                  4.42215440    3.49160427    0.67831919
 C                  5.83838405    3.31520135    0.43706672
 C                  6.31196554    3.02538613   -0.84771398
 C                  5.36894390    2.87426068   -1.94137857
 C                  3.99972892    3.02384011   -1.71234402
 C                  3.50612798    3.33750895   -0.37657830
 C                  4.11545133    2.90951045    1.97318357
 C                  5.34715987    2.38831690    2.54300423
 C                  6.41531162    2.63803974    1.59038991
 C                  7.42619879    1.69353686    1.41452854
 C                  7.36099322    2.03728634   -1.02677351
 C                  5.84571776    1.80541634   -2.80687186
 C                  4.93598646    0.93911530   -3.41687255
 C                  3.51203571    1.10112369   -3.18192837
 C                  3.05567149    2.12061623   -2.33933080
 C                  1.98252656    1.86903816   -1.39615878
 C                  2.25486426    2.64897725   -0.18260238
 C                  1.97825213    2.05268319    1.05797079
 C                  2.92178118    2.21578104    2.16311368
 C                  5.33003293    1.20153588    3.27816946
 C                  4.08056882    0.48469335    3.47563041
 C                  2.90409367    0.98763975    2.92364509
 C                  1.94821981    0.09006145    2.27454671
 C                  1.36538995    0.76816170    1.16394645
 C                  0.82974389    0.03144023   -0.02615070
 C                  1.40134562    0.61404907   -1.32358784
 C                  1.90281079   -0.44296866   -2.15835239
 C                  2.91850371   -0.21251787   -3.09484108
 C                  7.07789481    1.28839394   -2.24226797
 C                  5.18887644   -2.90710562   -1.97650472
 C                  6.39032366   -2.22080934   -2.16526576
 C                  7.32591949   -2.07818698   -1.06274895
 C                  7.02399736   -2.63077930    0.18496944
 C                  5.77415288   -3.34105581    0.38118144
 C                  3.45098384   -3.31676817   -0.44627312
 C                  2.88574344   -2.64192791   -1.59084273
 C                  3.95738289   -2.38574058   -2.54278799
 C                  3.97327722   -1.20031752   -3.27641390
 C                  5.22201615   -0.48617855   -3.47616391
 C                  6.40725692   -0.98499664   -2.93065155
 C                  7.92467187   -0.75775484   -1.14934203
 C                  8.19153083   -0.03737847    0.01882145
 C                  7.88341354   -0.61163235    1.31661080
 C                  7.30571045   -1.87986659    1.39996372
 C                  6.23884672   -2.13710952    2.35041686
 C                  5.28632525   -3.03137343    1.71732106
 C                  3.91726749   -2.86512799    1.93600132
 C                  2.98412459   -3.00831118    0.83689720
 C                  1.88783939   -1.67952073   -1.39299880
 C                  1.37991887   -1.39477023   -0.08147765
 C                  1.92826155   -2.03088736    1.01737732
 C                  2.19811460   -1.29322795    2.25803046
 C                  3.43303780   -1.79811301    2.80460375
 C                  4.35916913   -0.94014960    3.42287809
 C                  5.77545471   -1.10654433    3.17628606
 C                  6.38040652    0.21574106    3.09134000
 C                  7.40856001    0.45770869    2.18044257
 C                  7.35339154   -0.08031078   -2.30028494
 C                  7.91212862    1.38651916    0.07844188
 C                  4.87487930   -3.48317844   -0.67770029
 
 prod
 
-1 2
 C                 -3.78717475    3.46341845   -0.04513109
 C                 -3.14823245    3.01892059   -1.26746085
 C                 -3.92434367    2.60199614   -2.35515100
 C                 -5.37308241    2.60397815   -2.25306496
 C                 -5.98808353    3.02852484   -1.07325481
 C                 -5.17992955    3.47350273    0.05277725
 C                 -2.97184681    3.01848876    1.07934971
 C                 -1.82498663    2.31741275    0.55867908
 C                 -1.94471249    2.29579783   -0.90500389
 C                 -1.55941424    1.18447451   -1.63353936
 C                 -3.52880893    1.43330739   -3.10513987
 C                 -5.87412275    1.42802237   -2.94761947
 C                 -6.97175781    0.73018947   -2.43904261
 C                 -7.61258234    1.17699902   -1.21419237
 C                 -7.13027669    2.30588108   -0.54646673
 C                 -7.02590813    2.30300520    0.90550945
 C                 -5.82758764    3.03423836    1.27559601
 C                 -5.04705402    2.59715696    2.35224811
 C                 -3.60257932    2.60242787    2.26493977
 C                 -1.37526242    1.15213612    1.20367350
 C                 -2.02209515    0.71812114    2.44233250
 C                 -3.11052572    1.42153655    2.95361580
 C                 -4.25237004    0.69264946    3.48256515
 C                 -5.45260668    1.42046110    3.10851917
 C                 -6.60747630    0.72344569    2.75302683
 C                 -7.41282031    1.17332880    1.62863305
 C                 -7.90835489   -0.00109593    0.93262067
 C                 -8.01324483    0.00096142   -0.46151609
 C                 -4.73236553    0.70205973   -3.47562893
 C                 -5.98860717   -3.02499401   -1.08104104
 C                 -5.37312500   -2.59750512   -2.25955094
 C                 -3.92437838   -2.59462584   -2.36063338
 C                 -3.14881041   -3.01368206   -1.27385903
 C                 -3.78816421   -3.46380338   -0.05368710
 C                 -5.82894196   -3.03871102    1.26836480
 C                 -7.02664098   -2.30535540    0.89954358
 C                 -7.13047939   -2.30364863   -0.55235214
 C                 -7.61273811   -1.17321923   -1.21731708
 C                 -6.97164538   -0.72337931   -2.44105792
 C                 -5.87400119   -1.41989632   -2.95172506
 C                 -3.52828556   -1.42411371   -3.10750434
 C                 -2.37799573   -0.72341711   -2.72252759
 C                 -1.55645525   -1.17801448   -1.63457826
 C                 -1.94544278   -2.29109325   -0.90865697
 C                 -2.97406503   -3.02247040    1.07248511
 C                 -3.60392177   -2.61015751    2.25951366
 C                 -5.04898484   -2.60475286    2.34636850
 C                 -7.41343035   -1.17754052    1.62566028
 C                 -6.60778945   -0.73064105    2.75115614
 C                 -5.45403060   -1.42965740    3.10551576
 C                 -4.25289451   -0.70354500    3.48114940
 C                 -3.11186916   -1.43127684    2.95011556
 C                 -2.02279827   -0.72643062    2.44052124
 C                 -1.37919252   -1.15701496    1.20090314
 C                 -0.78703414   -0.00093668    0.50076014
 C                 -0.80738857    0.00567225   -1.01281030
 C                 -4.73194942   -0.69210070   -3.47716207
 C                 -2.37920987    0.73097367   -2.72124093
 C                 -5.18084306   -3.47353957    0.04380268
 C                 -1.82761859   -2.31943131    0.55448179
 C                  3.62818946    2.62527260    2.25194614
 C                  5.07292367    2.60617326    2.33800117
 C                  5.85697060    3.03020460    1.25892676
 C                  5.21240731    3.46727028    0.03347065
 C                  3.81952263    3.47003307   -0.06371544
 C                  3.00144112    3.03971256    1.06405536
 C                  3.12554920    1.45248867    2.94585133
 C                  4.25997456    0.71573138    3.47849757
 C                  5.46758605    1.42959016    3.10052426
 C                  6.61481290    0.71919679    2.74822101
 C                  7.04783587    2.28442253    0.89216857
 C                  6.01566526    3.00793204   -1.09018643
 C                  5.39600904    2.58270451   -2.26721535
 C                  3.94725868    2.59277382   -2.36772521
 C                  3.17573687    3.02200346   -1.28231284
 C                  1.96567504    2.31146112   -0.91436588
 C                  1.84807588    2.34589316    0.54856844
 C                  1.38856425    1.18940125    1.19855167
 C                  2.02937335    0.75657505    2.43960522
 C                  4.24653206   -0.68033344    3.48422017
 C                  3.09810921   -1.40012482    2.95787436
 C                  2.01555424   -0.68801078    2.44532682
 C                  1.36450552   -1.11974805    1.20822988
 C                  0.80251630    0.03686515    0.50011378
 C                  0.80678748    0.02451152   -1.01151200
 C                  1.56545601    1.20015119   -1.63744984
 C                  2.38401674    0.73499528   -2.72334761
 C                  3.54014170    1.42378968   -3.11153324
 C                  7.15111873    2.27745506   -0.55962185
 C                  5.85999704   -1.44956327   -2.94364705
 C                  6.96446004   -0.76057143   -2.43811716
 C                  7.60108303   -1.20953733   -1.21159167
 C                  7.10941481   -2.33255569   -0.54046683
 C                  5.95997964   -3.04609371   -1.06464750
 C                  3.90006288   -2.60363175   -2.34658184
 C                  3.51504921   -1.43354374   -3.09997695
 C                  4.72496628   -0.71450198   -3.47323621
 C                  4.73706765    0.67959671   -3.47869686
 C                  5.88568171    1.39827043   -2.95578458
 C                  6.97755447    0.69308839   -2.44418799
 C                  8.01217007   -0.03499373   -0.46259327
 C                  7.90778700   -0.02776772    0.93161392
 C                  7.40202732   -1.19539010    1.63148969
 C                  7.00462289   -2.32360888    0.91155999
 C                  5.79979378   -3.04275469    1.28431920
 C                  5.14794473   -3.47998806    0.06295308
 C                  3.75517525   -3.45760482   -0.03436031
 C                  3.12023646   -3.01088589   -1.25770896
 C                  2.37292596   -0.71927084   -2.71715713
 C                  1.55050568   -1.16169812   -1.62764494
 C                  1.92396305   -2.27498376   -0.89693870
 C                  1.80387481   -2.29076700    0.56645188
 C                  2.94428946   -3.00147830    1.08897506
 C                  3.57909402   -2.58761155    2.27296032
 C                  5.02366444   -2.59538634    2.35965241
 C                  5.44010363   -1.42009403    3.11257178
 C                  6.60092231   -0.73475436    2.75453329
 C                  7.62238471    1.14061308   -1.22152495
 C                  7.42463042    1.15533013    1.62150075
 C                  5.34859515   -2.61929093   -2.24539755
 
 guess 
 
 -1 2
 C                 -3.86664900    3.44013505    0.34029130
 C                 -3.05654803    3.07958504   -0.80585692
 C                 -3.66539250    2.76666250   -2.02677148
 C                 -5.11302683    2.79208245   -2.14069295
 C                 -5.89329584    3.13557923   -1.03452456
 C                 -5.25822759    3.47274252    0.23120670
 C                 -3.23292625    2.89033689    1.53331125
 C                 -2.02801179    2.20772003    1.13317490
 C                 -1.92782586    2.30415249   -0.32895809
 C                 -1.44881016    1.24560076   -1.08013742
 C                 -3.17360814    1.65240594   -2.80223579
 C                 -5.51605947    1.68570259   -2.99498077
 C                 -6.68412611    0.97397794   -2.71303707
 C                 -7.49644229    1.33667414   -1.56449589
 C                 -7.10838161    2.39865989   -0.74324917
 C                 -7.22224043    2.27907522    0.70308121
 C                 -6.08562963    2.95264042    1.30479860
 C                 -5.47908342    2.41519062    2.44615833
 C                 -4.03780313    2.39592716    2.57460188
 C                 -1.69111945    0.98572887    1.74094168
 C                 -2.52002189    0.46959206    2.83069452
 C                 -3.66574001    1.15401034    3.23042761
 C                 -4.88086475    0.41069064    3.52337804
 C                 -6.00456278    1.19163849    3.03592408
 C                 -7.10006085    0.55008160    2.45780829
 C                 -7.72387705    1.10459272    1.26675584
 C                 -8.12123322   -0.00026598    0.41197135
 C                 -8.01654293    0.11395512   -0.97749507
 C                 -4.31533596    0.97897183   -3.40512705
 C                 -5.95162931   -2.89704476   -1.53372030
 C                 -5.16277763   -2.39147188   -2.56936489
 C                 -3.71523815   -2.41212610   -2.45405843
 C                 -3.11493889   -2.93230101   -1.30199458
 C                 -3.93384049   -3.46319559   -0.23066216
 C                 -6.14505669   -3.09937473    0.80444936
 C                 -7.26697264   -2.31336846    0.32297118
 C                 -7.15261307   -2.19496685   -1.12329624
 C                 -7.51902747   -1.00542489   -1.75839692
 C                 -6.69787587   -0.47456726   -2.83301207
 C                 -5.54307295   -1.15235908   -3.23021239
 C                 -3.20057716   -1.19527231   -3.03646321
 C                 -2.11397829   -0.55227107   -2.42966686
 C                 -1.46874704   -1.10896005   -1.27251722
 C                 -1.97269204   -2.26707592   -0.70504524
 C                 -3.29295057   -3.12980527    1.03579239
 C                 -4.08910571   -2.79874740    2.14588063
 C                 -5.53079594   -2.76879559    2.01776957
 C                 -7.74694043   -1.23815731    1.07288438
 C                 -7.11425805   -0.89898198    2.33787071
 C                 -6.03329047   -1.64866892    2.80137117
 C                 -4.89477484   -0.98070578    3.40855742
 C                 -3.69434013   -1.68894552    2.99517817
 C                 -2.53452064   -0.96996467    2.71153181
 C                 -1.71708923   -1.31538639    1.55016451
 C                 -1.17976046   -0.11536043    0.99438175
 C                 -0.80953162    0.00547079   -0.45258460
 C                 -4.32827871   -0.41040856   -3.51975884
 C                 -2.10120089    0.89717476   -2.31050657
 C                 -5.32547453   -3.45031088   -0.34175714
 C                 -2.07516354   -2.41320986    0.75221420
 C                  4.10068379    2.80596578    2.13973701
 C                  5.54230987    2.76468437    2.01711049
 C                  6.16430702    3.08949499    0.80609796
 C                  5.35178251    3.44462000   -0.34365031
 C                  3.95968637    3.46773333   -0.23822443
 C                  3.31106409    3.14104434    1.02623732
 C                  3.69446174    1.69975485    2.98876869
 C                  4.88801218    0.98328290    3.40775499
 C                  6.03374120    1.64202885    2.80431281
 C                  7.11117689    0.88411307    2.34648994
 C                  7.28250051    2.29432851    0.33047610
 C                  5.97865777    2.88502625   -1.53222190
 C                  5.19038720    2.38373543   -2.57026158
 C                  3.74260284    2.41499290   -2.46060460
 C                  3.14128825    2.94102313   -1.31198936
 C                  1.99170216    2.28486771   -0.71834223
 C                  2.08892548    2.43307456    0.73897527
 C                  1.71910750    1.33889644    1.53716797
 C                  2.53022845    0.98926175    2.70251219
 C                  4.86349322   -0.40773586    3.52469970
 C                  3.64443675   -1.14252330    3.22804613
 C                  2.50491780   -0.45011968    2.82331110
 C                  1.67677843   -0.96185387    1.73107319
 C                  1.17494854    0.14229073    0.98142328
 C                  0.81132912    0.02072770   -0.46737270
 C                  1.48076754    1.12986325   -1.28662557
 C                  2.12823579    0.56704370   -2.43971042
 C                  3.22132508    1.20105106   -3.04381406
 C                  7.17297607    2.17463587   -1.11592958
 C                  5.51597382   -1.69681482   -2.98874834
 C                  6.68824124   -0.99344180   -2.70385498
 C                  7.49296371   -1.36019019   -1.55097105
 C                  7.09470491   -2.41874590   -0.72989482
 C                  5.87501660   -3.14711416   -1.02475613
 C                  3.65412511   -2.76269892   -2.02588110
 C                  3.17351363   -1.64601472   -2.80496689
 C                  4.32225548   -0.98178845   -3.40449877
 C                  4.34546889    0.40731700   -3.52083707
 C                  5.56420434    1.14072466   -3.22751037
 C                  6.71286242    0.45497322   -2.82560430
 C                  8.01897361   -0.14038961   -0.96365176
 C                  8.11901747   -0.02480758    0.42609417
 C                  7.71062440   -1.12535562    1.28106205
 C                  7.20278802   -2.29703196    0.71680730
 C                  6.05900579   -2.96150152    1.31511804
 C                  5.23232043   -3.47749940    0.23894292
 C                  3.84048911   -3.43483864    0.34268967
 C                  3.03787650   -3.07012160   -0.80712834
 C                  2.10560899   -0.88200657   -2.31808545
 C                  1.44701263   -1.22359510   -1.08978502
 C                  1.91337463   -2.28515305   -0.33585655
 C                  2.00776846   -2.18692090    1.12620451
 C                  3.20599315   -2.87831908    1.53229901
 C                  4.01016566   -2.38812534    2.57589869
 C                  5.45182037   -2.41806559    2.45303717
 C                  5.98370310   -1.19732639    3.04339109
 C                  7.08580077   -0.56455809    2.46861543
 C                  7.53288214    0.98146923   -1.74794067
 C                  7.75182711    1.21684167    1.08380462
 C                  5.10174376   -2.79947310   -2.13440342
 
solventname=c60
eps=4.08
epsinf=3.83



