%chk=/home/apulgar/almacen/pesticidas/G2-G4/dodemorph-cis/gaussian/water/CONF16/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dodemorph-cis CONF16 water 0 1 O -4.5200295840 -0.0593397381 0.0005617805 N -1.7092751476 0.2377350729 -0.0948115198 C -0.2843007134 -0.0757925409 0.0577227479 C 0.0126141105 -1.3113501469 0.9264356487 C 0.5160540956 1.1586448111 0.5031148132 C -2.4036594115 -0.6797333613 -0.9775803090 C -2.4398366357 0.3542785945 1.1531978054 C -3.8254805441 -0.2055300185 -1.2266880869 C -3.8641493306 0.8211452182 0.8988903069 C 1.4911215384 -1.7090996481 0.9942516994 C 1.1458547964 1.9425282264 -0.6531387133 C 2.1861698637 -1.8526370575 -0.3562648292 C 2.4086393399 2.7082024567 -0.2548130878 C 3.6632241807 -2.2393380362 -0.2546180888 C 3.5806221269 1.8145899074 0.1593543963 C 4.6121521545 -1.2249168252 0.3963023953 C 4.1487154559 0.9584013844 -0.9700354664 C 5.1435489609 -0.1046092660 -0.5036756813 C -4.6012130793 -1.1765022675 -2.0896308083 C -4.6712233321 0.8651401242 2.1782851724 H 0.0453589933 -0.3235751398 -0.9557220382 H -0.5636941830 -2.1590299924 0.5419270366 H -0.3370771660 -1.1447672532 1.9496183880 H 1.3050135809 0.8430195056 1.1852821560 H -0.1125435611 1.8274666184 1.0965846297 H -2.4419343353 -1.7099320721 -0.5847937398 H -1.8773881973 -0.7219053155 -1.9341352870 H -1.9499342191 1.0815032394 1.8038777238 H -2.4849153878 -0.5958658922 1.7096887881 H -3.7780403935 0.7700626075 -1.7336483288 H -3.8275951329 1.8282227102 0.4572899410 H 1.5654037824 -2.6593445694 1.5329657994 H 2.0328950563 -0.9864137344 1.6097400974 H 0.4167213686 2.6397316602 -1.0741852090 H 1.3913395109 1.2529321318 -1.4658741750 H 2.0851977660 -0.9294827815 -0.9285460740 H 1.6664852755 -2.6196353307 -0.9402818320 H 2.1710379119 3.3892482282 0.5684600861 H 2.7206712394 3.3433950212 -1.0899444176 H 4.0385891945 -2.4746599296 -1.2558398158 H 3.7247782848 -3.1755591011 0.3097253596 H 3.2734170677 1.1766235616 0.9924595920 H 4.3829414027 2.4427982985 0.5582718918 H 5.4853596295 -1.7781895163 0.7530861994 H 4.1587282746 -0.8045991457 1.2983244592 H 4.6535389009 1.6151687083 -1.6856757107 H 3.3442254443 0.4835076949 -1.5344365192 H 5.9576895417 0.3981291375 0.0293818523 H 5.6064195308 -0.5631253889 -1.3835337746 H -4.6740874426 -2.1581330929 -1.6181780504 H -5.6112925994 -0.8142301257 -2.2838385665 H -4.1052587616 -1.3027241175 -3.0520635720 H -5.6872009085 1.2169142403 1.9960352940 H -4.7286471224 -0.1202539017 2.6442142824 H -4.2094401371 1.5472619142 2.8920791331 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/dodemorph-cis/gaussian/water/CONF16/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dodemorph-cis CONF16 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/dodemorph-cis/gaussian/water/CONF16/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 dodemorph-cis CONF16 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/dodemorph-cis/gaussian/water/CONF16/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dodemorph-cis CONF16 water 0 1