%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Fluxametamide CONF35 water 0 1 Cl 5.4605715364 1.5271891766 -3.0696953959 Cl 4.9058052015 3.0892773189 2.0326118483 F 3.7008950685 -1.8353661110 2.1346000588 F 2.4721953421 -3.3123176563 1.1639511581 F 4.2735369738 -2.6224944396 0.2133310652 O 2.0077797197 -1.7070257306 -0.9789895283 O -6.1445691056 -0.6627353693 1.5686522110 O -9.2060838244 1.3751070061 -1.5433204151 N 0.6389529910 -1.6944259994 -1.0652882381 N -6.0713825206 0.3064566432 -0.4766131908 N -7.8449444120 1.1982711713 -1.5933777965 C 2.4475556666 -1.1242937426 0.2493343742 C 1.1562441545 -0.7528768834 0.9903689372 C 3.3667720763 0.0496444385 -0.0268483294 C 0.1371467607 -1.1809701102 -0.0130093864 C 3.2314382574 -2.2368903417 0.9519384698 C -1.3048412343 -1.0036873036 0.1397284458 C 3.6699234135 0.9354216719 1.0011203792 C 3.9270461257 0.2238441765 -1.2850294772 C -1.8096934048 -0.4672518146 1.3203461877 C -2.1888980844 -1.3326955088 -0.8871384548 C -3.1698736653 -0.2428666692 1.5127067954 C 4.7739516381 1.2992486165 -1.4995538553 C 4.5274336071 1.9921303533 0.7523832192 C -4.0374976537 -0.5501407837 0.4587176326 C -3.5377664750 -1.0937707891 -0.7253689298 C 5.0924065945 2.1964312600 -0.4955186376 C -3.6301558669 0.3394290665 2.8163449068 C -5.5041282856 -0.3220521203 0.5883806158 C -7.4206123900 0.5684988998 -0.5742107488 C -9.6421028053 2.0652782592 -2.6981042196 H 1.0859897345 0.3171434829 1.1889294942 H 1.0193657603 -1.2613459378 1.9467358032 H 3.2355610433 0.8216708688 1.9852414604 H 3.7074548132 -0.4536204550 -2.0970992841 H -1.1336483119 -0.2014692465 2.1234211294 H -1.8312668519 -1.7570037468 -1.8148352281 H -4.2105481120 -1.3485593160 -1.5343731322 H 5.7559053348 3.0296802178 -0.6789098301 H -4.3301227512 1.1617363869 2.6773593922 H -2.7798503136 0.7202829513 3.3780163053 H -4.1219158921 -0.4079575334 3.4371794481 H -5.4804042228 0.6172610867 -1.2369301210 H -8.0495611243 0.2124240653 0.2342475594 H -10.7199685150 2.1759563776 -2.5954512266 H -9.4310571726 1.5061894265 -3.6128136858 H -9.1921777701 3.0578978803 -2.7758467114 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Fluxametamide CONF35 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=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 Fluxametamide CONF35 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Fluxametamide CONF35 water 0 1