%chk=/home/apulgar/almacen/pesticidas/G4/Flupyradifurone/gaussian/water/CONF54/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Flupyradifurone CONF54 water 0 1 Cl 4.3819963902 -2.1023759794 -0.8799274333 F -1.1089787991 4.3158370672 -0.5678391128 F 0.5620304987 3.0116114053 -0.0435761146 O -3.6390506145 -0.9336851645 -1.1094838936 O -3.1752117117 -3.0808032239 -0.7288422230 N -1.3208659697 0.9775907329 0.8543306910 N 2.1997548121 -0.6848338990 -0.8736229409 C -0.2405267837 0.5802622966 1.7354829841 C -2.0366607974 0.0252692677 0.2461136524 C -1.6033168895 2.3849020202 0.6588441748 C -3.1693921622 0.3328641842 -0.6877584567 C 0.9207096408 -0.1113946599 1.0676211956 C -1.9152112142 -1.3259686610 0.3336410497 C -0.7489501722 3.0110152970 -0.4195880598 C -2.9174907156 -1.9174023531 -0.5025875879 C 1.8180927830 -0.8278091372 1.8533844678 C 1.1599590179 -0.0856202502 -0.2968581645 C 2.9016730860 -1.4549952733 1.2704972400 C 3.0326710876 -1.3370244279 -0.1031527346 H -0.6376495487 -0.0774946804 2.5142366805 H 0.1189926576 1.4701706329 2.2512017265 H -2.6507527379 2.5245449921 0.3931519563 H -1.4495470291 2.9142138491 1.6013455962 H -3.9775778974 0.8735071556 -0.1888445703 H -2.8451362745 0.9157610913 -1.5532171206 H -1.2088026478 -1.9042962053 0.9064585207 H -0.8287736787 2.5112180587 -1.3858364600 H 1.6688782712 -0.9002233474 2.9238136204 H 0.4887544440 0.4188325974 -0.9790018165 H 3.6108756222 -2.0170704686 1.8600465628 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Flupyradifurone/gaussian/water/CONF54/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Flupyradifurone CONF54 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Flupyradifurone/gaussian/water/CONF54/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 Flupyradifurone CONF54 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Flupyradifurone/gaussian/water/CONF54/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Flupyradifurone CONF54 water 0 1