%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization CONF260 water 0 1 F 2.0188271435 1.1842650394 2.0030402114 F 1.4865235495 -2.8302434137 -1.4361347166 F 0.8167461065 -1.0060068208 -2.3552496342 F 2.6510025834 -1.9271648874 -2.9941638522 F 4.6967298363 1.3121352047 1.9082299666 O -1.3240331399 -1.3253205277 0.8985394767 O 1.1502180821 2.1099484694 -1.1983082742 N 0.0387072214 -1.3344569573 0.8192286622 N -0.3346785428 0.7618246260 -0.1277441314 C -3.2919908671 -2.5367444530 1.3086746076 C -4.1779172097 -3.1047000614 2.3737935590 C -4.1870819138 -1.6336821600 2.1019172582 C -1.8176195538 -2.4968051364 1.5449942079 C 0.4845142133 -0.2711833126 0.2732898864 C 1.9564728142 -0.1926388891 0.1134070632 C 2.6545593388 -0.8559812568 -0.8981884703 C 2.6712347116 0.5356957699 1.0399539489 C 0.0080616174 1.8538922121 -0.8685458752 C -1.1452735879 2.7448362190 -1.2861671382 C 4.0381274480 -0.7796619835 -0.9539530867 C 1.9052157851 -1.6560700588 -1.9218073268 C -2.4858202121 2.4263587977 -0.6898451705 C 4.0515390399 0.6055238230 0.9849514562 C 4.7420398474 -0.0496005461 -0.0087634862 C -3.3334313507 1.5023481859 -1.2988740487 C -2.8825089208 3.0121298699 0.5103645316 C -4.5487061626 1.1667784690 -0.7178999870 C -4.1000211116 2.6833847420 1.0893048076 C -4.9348925530 1.7568627797 0.4782373409 H -3.5859926062 -2.7328841013 0.2829840180 H -3.7133073153 -3.4511333717 3.2886955147 H -5.0300319055 -3.6912760461 2.0571770201 H -3.7272083387 -0.9777891678 2.8311271454 H -5.0477088302 -1.2103090769 1.6005441979 H -1.3293104732 -3.3813162206 1.1274735217 H -1.5923254379 -2.4565773211 2.6159703750 H -1.3160721262 0.6385956250 0.0889980257 H -1.1878006224 2.6818318611 -2.3771992853 H -0.8494779575 3.7692052672 -1.0509241908 H 4.5945875916 -1.2850565610 -1.7301836981 H 5.8216772109 0.0085781650 -0.0465090263 H -3.0360520651 1.0383642851 -2.2320298005 H -2.2316234722 3.7301352987 0.9948850133 H -5.1953750232 0.4464670174 -1.2019736492 H -4.3965773999 3.1502809003 2.0194669003 H -5.8835906360 1.4982874085 0.9301968398 --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 CONF260 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 CONF260 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 CONF260 water 0 1