%chk=/home/apulgar/almacen/pesticidas/H/flumorph_E/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flumorph_E CONF1 water 0 1 F 2.7325723582 4.0431201728 0.5125661680 O 4.7148800791 -0.6313490188 1.5546112655 O 2.2547752669 -2.1252434817 -2.3538839931 O -4.5781997150 1.4567814428 -0.6005545926 O -5.6821343415 -0.6028706763 0.4728804630 N 2.8491027353 -1.8337997688 -0.1928418888 C 2.5603437845 -1.6906156357 1.2242630842 C 4.2759026640 -1.8857134836 -0.4733126450 C 3.3279662672 -0.5162979156 1.8036163896 C 4.9657895235 -0.6948380657 0.1653410694 C 1.9437362841 -1.9014738071 -1.1816485325 C -0.1349156618 -0.6498602035 -0.4664294736 C 0.4970180508 -1.7657677429 -0.8563054931 C -1.5885816356 -0.6676105785 -0.2002671859 C 0.5870810808 0.6233721330 -0.2505906761 C -2.3794298157 0.4407493628 -0.5350575727 C -2.1973867281 -1.7677475961 0.3832668157 C -3.7423262425 0.4372046532 -0.3058380680 C 0.3834316290 1.3462992543 0.9258412201 C 1.5019789474 1.1118030805 -1.1821423259 C -4.3507767275 -0.6916269246 0.2799045321 C -3.5684625797 -1.7819515742 0.6190695515 C 1.1033021131 2.4994426005 1.1909031233 C 2.2279585637 2.2677548008 -0.9359003663 C 2.0221528072 2.9347081328 0.2547997547 C -4.0239573152 2.6299297122 -1.1657051680 C -6.3392015317 -1.7006127542 1.0799410019 H 2.8595998993 -2.6104873723 1.7367314281 H 1.4954010712 -1.5590255929 1.3951530644 H 4.4506753709 -1.8743736829 -1.5457226687 H 4.6905523118 -2.8179875608 -0.0777991704 H 2.9452204017 0.4231194086 1.3880318647 H 3.1875735626 -0.4879308053 2.8848677202 H 6.0444969782 -0.7790541495 0.0287343444 H 4.6319448112 0.2289257043 -0.3269458287 H -0.0815910496 -2.6577432798 -1.0733226997 H -1.9097554877 1.3018199825 -0.9919029731 H -1.6074928035 -2.6233334119 0.6848117951 H -0.3280506248 0.9925551460 1.6608052761 H 1.6470431209 0.5978595959 -2.1233065311 H -4.0071689187 -2.6538149954 1.0845840139 H 0.9582409806 3.0451048547 2.1138341482 H 2.9365388798 2.6410511862 -1.6635763313 H -4.8482753663 3.3268563708 -1.2977882121 H -3.5677841661 2.4381093497 -2.1401173010 H -3.2796545701 3.0874250304 -0.5089704924 H -5.9586030854 -1.8981092307 2.0850845641 H -6.2508130637 -2.6105096435 0.4813360991 H -7.3898132834 -1.4299269657 1.1517565549 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_E/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction flumorph_E CONF1 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_E/gaussian/water/CONF1/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 flumorph_E CONF1 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_E/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flumorph_E CONF1 water 0 1