%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cyflumetofen CONF554 water 0 1 F -4.7654206566 0.8537359666 1.0653828947 F -3.3432022851 -0.4752809879 0.1617727416 F -3.6855746398 1.4824479274 -0.6746831538 O -1.2344931224 -2.2983272509 -1.2991802679 O -1.0037244365 0.7304747993 -1.2606886730 O 0.7853146043 -1.8168817895 -2.1425668626 O -3.2988529685 -1.2515801089 -2.9218853514 N -0.8549051427 -2.2631194823 2.0188437883 C 5.7878086981 0.5349836559 0.6606828343 C 4.3225771675 0.1388500438 0.5327021978 C 6.4579556389 -0.1100340362 1.8716272541 C 6.5340393599 0.0899281704 -0.6032832523 C 5.8930305381 2.0578365196 0.8043119787 C 0.1440496853 -0.9268010229 0.0140834195 C 1.6069814735 -0.5584080489 0.2179059548 C 3.5439568721 0.6811889877 -0.4933994492 C 3.7016408216 -0.7610052242 1.3919287116 C 2.2133732174 0.3443741858 -0.6539833693 C 2.3638159223 -1.1062991494 1.2407994266 C -0.7155189424 0.3594396453 -0.1553987521 C -0.0457262466 -1.7438224509 -1.2834095389 C -1.1302537049 1.0875658073 1.0792218209 C -0.4008108340 -1.6816180706 1.1366642192 C -2.4794668619 1.3539668943 1.3520029470 C -0.1535912754 1.5478439804 1.9547270185 C -2.8198459026 2.0886061404 2.4767471140 C -3.5705841443 0.8094235798 0.4751180127 C -1.6832302856 -2.9399089247 -2.5106591874 C -0.5040677346 2.2908989165 3.0723903033 C -1.8345263249 2.5642455109 3.3306327508 C -2.2076045912 -1.9277977329 -3.4958389895 C -3.7460847340 -0.1788898643 -3.7173523186 H 6.4558390584 -1.1998611528 1.8131804298 H 7.4998143995 0.2093334986 1.9261321639 H 5.9787359489 0.1792637227 2.8087122440 H 6.1292476092 0.5559276314 -1.5027971677 H 6.4805562643 -0.9924695899 -0.7340205897 H 7.5885023306 0.3656750293 -0.5369738314 H 5.4853281513 2.5824396312 -0.0605821025 H 6.9391291318 2.3548164050 0.9022781016 H 5.3623033544 2.4100023919 1.6905546548 H 3.9793135972 1.3842241298 -1.1921780043 H 4.2504685742 -1.2160642637 2.2043775907 H 1.6610089301 0.7994564432 -1.4653480631 H 1.9316341382 -1.8112443008 1.9393003424 H 0.8914830045 1.3539462918 1.7599132477 H -3.8550270458 2.2946796945 2.7086901243 H -2.4692487075 -3.6205402544 -2.1889183930 H -0.8822216133 -3.5273566422 -2.9584121595 H 0.2692603855 2.6520638281 3.7361585974 H -2.1168547814 3.1395861170 4.2013915085 H -1.4174128995 -1.2258159953 -3.7915470702 H -2.5023981531 -2.4715634865 -4.4037614000 H -2.9770357066 0.5921497838 -3.8369686576 H -4.0516455405 -0.5087935515 -4.7163490795 H -4.6105557873 0.2665326301 -3.2276149998 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Cyflumetofen CONF554 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=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 Cyflumetofen CONF554 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Cyflumetofen CONF554 water 0 1