%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization CONF256 water 0 1 F 1.9799428529 1.0357782197 2.1377478775 F 0.8555258972 -0.7916028341 -2.3940057634 F 2.7195194327 -1.5768568205 -3.1124185318 F 1.5688184157 -2.6875862025 -1.6794332254 F 4.6542032936 1.1784384735 2.1087471782 O -1.3245222666 -1.4273126644 0.7258168735 O 1.1476040577 2.1599996807 -1.0802896428 N 0.0405804329 -1.4069261438 0.6921375520 N -0.3355397141 0.7654469057 -0.0699180911 C -3.2865095580 -2.6686266678 1.0786212060 C -4.1820465975 -3.2377307053 2.1355544552 C -4.1883443990 -1.7667992879 1.8663464573 C -1.8139114330 -2.6239419908 1.3283728569 C 0.4844308157 -0.2931939252 0.2563453832 C 1.9589461277 -0.1868730298 0.1400782415 C 2.6813368152 -0.7611685644 -0.9074695512 C 2.6512921630 0.4651117772 1.1389025927 C 0.0078388975 1.8956873154 -0.7504589397 C -1.1405752585 2.8239025918 -1.0929657003 C 4.0659149145 -0.6889159404 -0.9207791528 C 1.9584521754 -1.4557795308 -2.0233212816 C -2.4976545921 2.4238272945 -0.5919833215 C 4.0324126538 0.5402464574 1.1205770932 C 4.7469192048 -0.0392679586 0.0972095869 C -2.9371102454 2.8326770931 0.6651790297 C -3.3215256081 1.6008082272 -1.3573354035 C -4.1754694544 2.4318497800 1.1462478869 C -4.5593680303 1.1964742662 -0.8772035287 C -4.9901727921 1.6135239301 0.3751537001 H -3.5716579037 -2.8619996099 0.0500577115 H -3.7254448930 -3.5854400481 3.0541216336 H -5.0325462445 -3.8231784461 1.8119641663 H -3.7351887786 -1.1112919842 2.6002143879 H -5.0443019606 -1.3426369548 1.3577914118 H -1.3137597842 -3.4902380502 0.8869047497 H -1.5991216599 -2.6165149701 2.4020507172 H -1.3175079364 0.6272343194 0.1324160299 H -1.1445338660 2.9033648089 -2.1831529642 H -0.8647409512 3.8112256047 -0.7159592894 H 4.6392790069 -1.1323652419 -1.7218363972 H 5.8268769879 0.0191406531 0.0901144804 H -2.3030395853 3.4686433433 1.2714641595 H -2.9894028215 1.2727146874 -2.3352660809 H -4.5048749809 2.7604749734 2.1232176524 H -5.1895339314 0.5589915782 -1.4836284439 H -5.9572039894 1.3029456084 0.7484457329 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check scrf=(smd,Solvent=Water) guess=read output=wfx Wavefunction CONF256 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check scrf=(smd,Solvent=Water) guess=read td=(singlets,nstates=10) Electronic spectrum CONF256 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check scrf=(smd,Solvent=Water) guess=read Single Point CONF256 water 0 1