%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/flufenoxystrobin/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flufenoxystrobin CONF5 water 0 1 Cl -1.4222789255 -1.2981964698 -2.2975258134 F -3.9988600192 0.0902028961 3.2399102014 F -4.5321933069 -1.5452491777 1.9503862352 F -2.8014534165 -1.6932074090 3.2153837054 O -0.1522503206 1.1612159903 -1.6123007927 O 2.9705476596 0.4209556682 -2.6827843156 O 1.0139026045 -1.3771618266 1.1304057766 O 2.1113283325 -1.6342723676 -2.8259470986 C 1.7548726443 2.0441535464 -0.3194212862 C 2.3644999408 0.8114491192 -0.0523933239 C 0.7204240042 2.2585886149 -1.3963750254 C 2.1331477912 3.1632123703 0.4182838005 C 3.3348776660 0.7466360297 0.9487286227 C 2.0183783345 -0.4441535489 -0.7606764819 C -0.9500783963 0.7573072590 -0.6189729530 C 3.1048025687 3.0866577740 1.4028260764 C 3.7097399717 1.8681574837 1.6709448748 C -2.6449945568 -0.2712770032 1.3515948453 C -1.6352033582 -0.4475847934 -0.8119680780 C -1.1447769656 1.4423931801 0.5762911677 C -2.4705826216 -0.9629414872 0.1578414939 C -1.9820771085 0.9293910229 1.5516152134 C 2.3489006628 -0.6379543414 -2.1725252126 C 1.3966197319 -1.4599554904 -0.1346805908 C -3.4957899966 -0.8500242950 2.4326703441 C 3.3085351723 0.3848351151 -4.0678553942 C 0.4081963418 -2.5466755346 1.6780408044 H 0.1456917931 3.1641075169 -1.1795799961 H 1.2020189577 2.4198561179 -2.3612222775 H 1.6458701092 4.1112261241 0.2225746754 H 3.8123662568 -0.2034456720 1.1535641521 H 3.3791501612 3.9716428345 1.9615810949 H 4.4675098729 1.7881706541 2.4391689293 H -0.6552228710 2.3864893761 0.7661791358 H -2.9738393087 -1.9026618918 -0.0278890040 H -2.1050822102 1.4902449881 2.4677199975 H 1.1810562446 -2.3893067505 -0.6552973968 H 2.4248493983 0.2603209047 -4.6934644461 H 4.0222302880 -0.4094216791 -4.2863929735 H 3.7670389546 1.3449247250 -4.2871448737 H 0.0625509439 -2.2867392694 2.6744616467 H -0.4409014522 -2.8723263695 1.0754929349 H 1.1320669359 -3.3596374502 1.7516718295 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/flufenoxystrobin/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction flufenoxystrobin CONF5 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/flufenoxystrobin/water/CONF5/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 flufenoxystrobin CONF5 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/flufenoxystrobin/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flufenoxystrobin CONF5 water 0 1