%chk=/home/valentin/Almacen/Insecticides/G1/Ethiofencarb/gaussian/water/CONF14/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Ethiofencarb/ CONF14 water 0 1 S 0.3661729605 2.0488393193 0.4248685618 O 0.8531479584 -1.1672118846 0.8712942713 O 1.6254264008 -0.8643522315 -1.2371621873 N 3.0127305011 -0.7868478360 0.5555521206 C -1.2982604347 -0.1743080201 0.6683569116 C -0.8293772801 1.0584315586 1.3769084749 C -0.4461637173 -1.2449081128 0.4111905181 C -2.6184612549 -0.2848008003 0.2394748507 C -0.8817250874 -2.3898498073 -0.2322240369 C -3.0710087818 -1.4210622398 -0.4165078148 C -0.5617183418 2.3537893742 -1.1032696866 C -2.2028938490 -2.4775412692 -0.6480988261 C -1.7796978321 3.2366454489 -0.9240863905 C 1.8277195281 -0.9184292645 -0.0410683994 C 4.1946177215 -0.4325675019 -0.1952061638 H -1.6850949947 1.6765001017 1.6485130211 H -0.3118022743 0.8132246353 2.3059977710 H -3.2997332650 0.5366306257 0.4249069707 H -0.1980766397 -3.2130913507 -0.3967040785 H 0.1572437969 2.8249765507 -1.7755427156 H -0.8287719947 1.3965760416 -1.5546769192 H -4.1016170257 -1.4816825038 -0.7398014677 H -2.5476516650 -3.3708658933 -1.1515593138 H -2.2706879871 3.3974669964 -1.8855330709 H -2.5142483152 2.7875578158 -0.2551697451 H -1.5063468492 4.2106583412 -0.5190525462 H 3.0517477786 -0.7426522786 1.5615760359 H 5.0506955665 -0.4929796114 0.4701993576 H 4.1430130445 0.5816102035 -0.5942609518 H 4.3615416307 -1.1235525139 -1.0193095262 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G1/Ethiofencarb/gaussian/water/CONF14/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Ethiofencarb/ CONF14 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G1/Ethiofencarb/gaussian/water/CONF14/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 Ethiofencarb/ CONF14 water 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G1/Ethiofencarb/gaussian/water/CONF14/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Ethiofencarb/ CONF14 water 0 1