%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Fluvalinate-tau CONF4 gas 0 1 Cl -0.8081484043 3.5479089425 -1.6591675206 F -3.0025490488 -0.0223378380 2.9336742853 F -3.1813393069 2.0606344967 3.4197216109 F -4.1408961896 1.2898001937 1.6575339488 O 3.1269995543 -0.7545325933 0.1775599068 O 1.9819740433 -0.3354862630 -1.7070592489 O -2.0546657373 -2.7808750161 -0.0907878301 N 1.6696742865 2.2866651666 -0.6104671211 N 4.7754451212 -3.3967290661 1.2661005360 C 3.9685494207 2.0577069573 -1.3988735589 C 2.8772696102 1.5186986147 -0.4580555580 C 4.3094534149 3.5011360118 -1.0436545472 C 5.2222081183 1.1882043462 -1.3608920667 C 2.6001102960 0.0474592669 -0.7570344854 C 0.5456307542 2.0221167499 0.1257100434 C 2.7977694148 -2.1461006027 0.1070044139 C -0.7007119893 2.5558984374 -0.2395819906 C 0.5705269329 1.2291134553 1.2795053346 C 1.4748671399 -2.3943997944 0.7877877934 C -1.8004020494 1.4897455677 1.6049895845 C -1.8505994434 2.2965217510 0.4764241726 C -0.5770625856 0.9703556922 2.0018631231 C 0.3347314681 -2.5088646276 0.0059581023 C 1.3853606631 -2.4283239673 2.1748100053 C -3.0337269210 1.2053665787 2.3994256988 C -0.9073256644 -2.6351286404 0.6170920182 C 3.9074154747 -2.8412791696 0.7593208297 C 0.1441113867 -2.5793057075 2.7707229998 C -1.0047531899 -2.6687513634 2.0008883792 C -2.2578906628 -2.0776966865 -1.2468312022 C -2.9898208782 -2.7085583469 -2.2422963925 C -1.8118959183 -0.7735134826 -1.4148584384 C -3.2770071867 -2.0258623556 -3.4138583128 C -2.0980535597 -0.1073356884 -2.5962248705 C -2.8289571559 -0.7263129509 -3.5992768650 H 3.5662215068 2.0252932452 -2.4186263153 H 3.2454316938 1.6138163592 0.5683604723 H 3.4393392156 4.1551537257 -1.0666003364 H 5.0438623986 3.8992669011 -1.7441165373 H 4.7426828745 3.5616241287 -0.0434024816 H 5.0535980969 0.1822499128 -1.7456021092 H 5.6160800333 1.0977329519 -0.3471558464 H 6.0032615158 1.6331163239 -1.9768366148 H 1.4964751740 2.6171597188 -1.5472703072 H 2.7557639397 -2.4763544180 -0.9350511282 H 1.4957360564 0.7915219020 1.6253145516 H -2.7848580077 2.7162871232 0.1302500496 H -0.5015853648 0.3351464071 2.8730652396 H 0.4109974978 -2.4827488932 -1.0734223412 H 2.2752751104 -2.3547235310 2.7871816466 H 0.0660574121 -2.6184728653 3.8490605655 H -1.9765541861 -2.7752068500 2.4634431547 H -3.3348858717 -3.7228946299 -2.0909090454 H -1.2482019878 -0.2755350405 -0.6375604474 H -3.8503676130 -2.5184318134 -4.1879681657 H -1.7474626240 0.9080400050 -2.7259305687 H -3.0497574339 -0.1989716940 -4.5172772776 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Fluvalinate-tau CONF4 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Fluvalinate-tau CONF4 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Fluvalinate-tau CONF4 gas 0 1