%chk=/home/mleiferm/archivo/ipflufenoquin/ipflunequin_censo/octanol/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization CONF11 octanol 0 1 C 4.4929427051 -0.7900977635 0.9905025236 C 3.6518085671 -1.8819169295 1.2311470179 C 2.3454100854 -1.8314064900 0.8265548396 C 1.8444542716 -0.6892239971 0.1685085613 C 4.0330261011 0.3306192090 0.3607558421 C 2.6946993859 0.4117103456 -0.0705995795 C 0.1170809250 0.5611710226 -0.9068608395 N 2.2816305560 1.5347656493 -0.6950036990 C 0.5084873136 -0.5822913220 -0.2772417001 F 5.7688070224 -0.8476477891 1.3853326015 H 4.0479224648 -2.7539046302 1.7351676573 H 1.6887553330 -2.6717943271 1.0098685641 F 4.8463468951 1.3626921348 0.1438084112 C 1.0479368063 1.6255915001 -1.1037953821 O -1.1230753393 0.7930359491 -1.3918875898 H -0.1686082224 -1.4105223559 -0.1097646374 C 0.6139569414 2.8797879539 -1.7887572556 H 0.2370954384 2.6819628674 -2.7935348488 H 1.4529378082 3.5676308422 -1.8659666443 H -0.1866972596 3.3784591193 -1.2390206223 C -2.9089200194 -0.1572628736 -0.0546245685 C -3.8704836696 -1.1698253878 -0.0461534373 F -4.7078590925 -1.2674361157 1.0019156883 C -4.0386488000 -2.1077642537 -1.0434524634 H -4.8113217953 -2.8596385172 -0.9501722136 C -3.2090844336 -2.0588746751 -2.1494947075 H -3.3201336253 -2.7804377170 -2.9472098652 C -2.2363246814 -1.0813033738 -2.2226104381 H -1.5756536566 -1.0205194122 -3.0780151992 C -2.0969493775 -0.1559884056 -1.1968402304 C -2.8067084351 0.8401012282 1.1206806308 C -4.1169108707 1.6179554929 1.2756530231 C -2.4410342196 0.0985737422 2.4053995251 H -4.9651382571 0.9918017122 1.5392081083 H -4.3673181934 2.1452391813 0.3517593074 H -4.0016525251 2.3620185371 2.0664060770 H -3.1912844901 -0.6309824135 2.6971962247 H -2.3440260060 0.8138784117 3.2245377714 H -1.4871484477 -0.4208359445 2.2967444633 O -1.7590244717 1.7684652756 0.9445274261 H -2.0036087443 2.3991846996 0.2585319714 --Link1-- %oldchk=/home/mleiferm/archivo/ipflufenoquin/ipflunequin_censo/octanol/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction CONF11 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/mleiferm/archivo/ipflufenoquin/ipflunequin_censo/octanol/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum CONF11 octanol 0 1 --Link1-- %oldchk=/home/mleiferm/archivo/ipflufenoquin/ipflunequin_censo/octanol/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point CONF11 octanol 0 1