%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization isopyrazam_anti CONF26 water 0 1 F -3.6723527710 -1.8686478496 1.7611066516 F -1.5294711357 -1.9778324923 2.1587362480 O -2.5114479075 0.8910980454 2.3769110438 N -0.7850961729 2.0306807020 1.5009552460 N -1.9328860737 -0.3989361418 -1.8664801470 N -2.2321797420 -1.4739552099 -1.1490276566 C 1.8304132881 -0.7228989704 -0.7117844593 C 1.3876400557 -0.1025074536 0.6343375039 C 2.9325736028 0.3394128554 -0.9478312006 C 2.7181548022 -0.0919455183 1.4265671570 C 3.7794502179 0.2042513974 0.3407714743 C 1.1525133911 1.3155671805 0.1900778540 C 2.1221028217 1.5947306989 -0.7785331176 C 2.2621042817 -2.1861169233 -0.7043916827 C 0.2397971056 2.2856741724 0.5613265248 C 2.2323588262 2.8489379148 -1.3439397497 C 2.7496163133 -2.5975311554 -2.0897658402 C 1.1169859705 -3.0883785825 -0.2559431265 C 0.3401492764 3.5548377174 -0.0144674691 C 1.3296966006 3.8342837034 -0.9441829249 C -1.7430031124 1.0776151811 1.4413902524 C -1.8499513407 0.2801306933 0.2081966230 C -2.2014068209 -1.0809663698 0.1076401332 C -1.6809166581 0.6717090265 -1.1037294243 C -2.4636854495 -2.0814894819 1.1706972970 C -1.8589100766 -0.4627778221 -3.3101195903 H 1.0308731635 -0.6113881783 -1.4553141316 H 0.5671874200 -0.5871843946 1.1568051193 H 3.5031819037 0.2746955553 -1.8731638132 H 2.8856289561 -1.0625592640 1.8963177604 H 2.7073167830 0.6504217026 2.2245684014 H 4.3521549417 1.1096359834 0.5422232942 H 4.4971215041 -0.6124225527 0.2486831976 H 3.0907013905 -2.3247420206 -0.0025162058 H 2.9924395601 3.0682713616 -2.0833098546 H 1.9602637454 -2.4738564887 -2.8355674776 H 3.6070450495 -2.0069021039 -2.4158028442 H 3.0531958216 -3.6456392945 -2.1041369991 H 1.4133370080 -4.1382901649 -0.2910884721 H 0.8015248187 -2.8765033062 0.7662051535 H 0.2442983701 -2.9700591374 -0.9025030063 H -0.3739152249 4.3210216761 0.2603070634 H 1.3848951639 4.8246071915 -1.3768290215 H -0.8506066121 2.6590401899 2.2916906957 H -1.4273768981 1.6250717488 -1.5379089788 H -2.4485183056 -3.0998194735 0.7812138470 H -1.9309242559 -1.5015161730 -3.6144988138 H -2.6725351636 0.0996661464 -3.7628083914 H -0.9105512231 -0.0572813767 -3.6542453507 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction isopyrazam_anti CONF26 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum isopyrazam_anti CONF26 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point isopyrazam_anti CONF26 water 0 1