%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Phenothrin_RR CONF21 water 0 1 O 0.7277383408 -2.5640698179 -1.1644556016 O 0.2331661362 -2.2095167025 0.9861835320 O 2.7219434178 2.0131537746 -0.4933821749 C -2.7314174794 -2.2545163276 -0.0866720101 C -2.2776607034 -0.8348598326 0.0508391077 C -1.4161758571 -1.8217477346 -0.7126113384 C -3.8386704951 -2.5737459979 -1.0600925423 C -2.7530950070 -3.1297055059 1.1407372971 C -2.9050924520 0.2826689304 -0.6923026604 C -0.1026466322 -2.2118599310 -0.1763115663 C -3.6472154921 1.2556322283 -0.1554953404 C -4.2009961785 2.3600923629 -1.0028063555 C -3.9948079032 1.3412313982 1.2980964849 C 2.0807775904 -2.8525811174 -0.8279515481 C 2.8446077917 -1.6400541598 -0.3686727792 C 2.4234654234 -0.3545252671 -0.6771966171 C 4.0147537273 -1.8177662349 0.3643681311 C 3.1446344405 0.7351547240 -0.2101012553 C 4.7484697576 -0.7206179287 0.7867516212 C 4.3102448585 0.5693248532 0.5166938151 C 1.4790482291 2.4069335803 -0.0681357439 C 0.9047531186 3.4770764632 -0.7428405073 C 0.8217676986 1.8142867825 1.0048478459 C -0.3280629024 3.9625512140 -0.3331422531 C -0.4142601304 2.3091632921 1.3981355659 C -0.9946315255 3.3825603512 0.7374675266 H -1.8996533606 -0.5874607089 1.0385509198 H -1.4430509386 -1.7289926095 -1.7927795360 H -3.7763158986 -1.9885100124 -1.9762558644 H -4.8107377049 -2.3767368271 -0.6047374035 H -3.8124332481 -3.6286137748 -1.3376942577 H -2.5534070790 -4.1714385283 0.8839477070 H -3.7446682751 -3.0891459188 1.5949318698 H -2.0372390884 -2.8233678341 1.8993442713 H -2.7357050867 0.3041580198 -1.7648184188 H -3.9181132744 2.2569169624 -2.0499354606 H -3.8475755134 3.3333339616 -0.6524474275 H -5.2919562441 2.3901553261 -0.9473857114 H -3.5496030732 0.5515928457 1.9003669635 H -5.0784604826 1.2852016193 1.4306909784 H -3.6863425103 2.3017914620 1.7174201932 H 2.5147546198 -3.2480511433 -1.7461954735 H 2.1345586683 -3.6422534606 -0.0757754270 H 1.5290597438 -0.1809584228 -1.2633375221 H 4.3489431233 -2.8182517874 0.6101049085 H 5.6571788654 -0.8668785401 1.3550809151 H 4.8623436390 1.4303485221 0.8703737772 H 1.4237983217 3.9275520738 -1.5793334578 H 1.2569607714 0.9796579368 1.5390574721 H -0.7709032394 4.7967725977 -0.8612195174 H -0.9233171221 1.8467816643 2.2340906260 H -1.9572022382 3.7625740859 1.0521522191 --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 Phenothrin_RR CONF21 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 Phenothrin_RR CONF21 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 Phenothrin_RR CONF21 water 0 1