%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/carborxin/water/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization carborxin CONF10 water 0 1 S 1.9585555898 -1.1638298992 -1.2415033999 O 2.0218254826 0.0721481159 1.6417043477 O 0.8532334648 1.3380768527 -2.6356155221 N -1.0029061658 1.0565542848 -1.4030021373 C 2.3030028710 -1.9728845747 0.3339482049 C 2.9119242414 -0.9797793129 1.2946755586 C 1.1451041595 0.2545052906 -0.5693976036 C 1.2580590509 0.6694260184 0.7014321296 C 0.3291232745 0.9367370850 -1.6039526796 C 0.5444589637 1.8432534523 1.2837604327 C -1.7910016497 0.4756119641 -0.3913414521 C -2.7967768196 1.2387068351 0.1919352629 C -1.6172791216 -0.8498923230 -0.0026507850 C -3.6090140371 0.6877082441 1.1720560637 C -2.4176127192 -1.3858249602 0.9941721589 C -3.4148159150 -0.6220442858 1.5870640275 H 3.0145979295 -2.7745209092 0.1403584486 H 1.3940565523 -2.4163595094 0.7431784504 H 3.1607935424 -1.4717015819 2.2345450581 H 3.8306807010 -0.5632714413 0.8758445229 H 1.2493222696 2.4703170577 1.8318394594 H -0.2231020514 1.5181478123 1.9893209501 H 0.0698557832 2.4649863601 0.5309313489 H -1.4902173786 1.6351692373 -2.0754863776 H -2.9396895785 2.2667931011 -0.1166327257 H -0.8722502583 -1.4695168670 -0.4849124628 H -4.3889576845 1.2905535348 1.6179095021 H -2.2708717032 -2.4147178339 1.2951126093 H -4.0414154632 -1.0488182301 2.3586545719 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/carborxin/water/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction carborxin CONF10 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/carborxin/water/CONF10/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 carborxin CONF10 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/carborxin/water/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point carborxin CONF10 water 0 1