%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Phenothrin_RS CONF72 water 0 1 O -1.7256540787 1.0429577035 -0.5248275569 O -3.8556684619 1.6090081220 -0.2186588942 O 3.2581288382 0.7990379502 0.0782089185 C -2.5692659468 -1.8571389155 -0.7575218115 C -2.4324520276 -1.6235489178 0.7064221221 C -3.2977393020 -0.6787271166 -0.1351367673 C -3.4808348771 -2.9828236136 -1.1902385870 C -1.3928698837 -1.6813159689 -1.6862732364 C -1.1589015598 -1.2008288163 1.3417821100 C -2.9969130671 0.7531872229 -0.2978410545 C -1.0754182098 -0.4972069818 2.4741273103 C 0.2467700947 -0.1516911917 3.0854669011 C -2.2724377236 0.0124889657 3.2153638511 C -1.3515286387 2.4162262885 -0.6172466703 C 0.1330509450 2.4967971899 -0.8243186583 C 0.9980202010 1.5561776332 -0.2770034770 C 0.6525132815 3.5745781590 -1.5355334693 C 2.3674725153 1.6907085225 -0.4668403250 C 2.0231097619 3.7112144409 -1.6915887656 C 2.8919142776 2.7646473066 -1.1688700345 C 2.9839822434 -0.5456635360 0.0258748048 C 3.3289590620 -1.3064856528 1.1340150091 C 2.4331634588 -1.1428788126 -1.1013467525 C 3.1135130264 -2.6774587842 1.1144363009 C 2.2155735246 -2.5134058210 -1.1030362693 C 2.5489619077 -3.2859153536 0.0018883424 H -3.0483383407 -2.2649975843 1.3315803785 H -4.3639477264 -0.8266093083 -0.0098578614 H -4.3301975234 -3.1007970325 -0.5166921261 H -2.9363269050 -3.9288335359 -1.2078625416 H -3.8718740932 -2.8059980941 -2.1938272722 H -0.8949666889 -2.6444810261 -1.8148798666 H -0.6442093521 -0.9765578754 -1.3364258952 H -1.7262240991 -1.3541060593 -2.6726175348 H -0.2365516236 -1.5268272991 0.8664808717 H 0.3060603717 -0.5025334737 4.1190371213 H 0.3893045426 0.9317819837 3.1185217563 H 1.0807636184 -0.5847380943 2.5339912742 H -2.1784960486 1.0844854022 3.4058499368 H -2.3515797050 -0.4668624752 4.1948555455 H -3.2099413023 -0.1537597040 2.6877324359 H -1.6323485989 2.9390913349 0.3013213013 H -1.8726834615 2.8995452858 -1.4462512977 H 0.6132854217 0.7217724118 0.2966294202 H -0.0162377370 4.3077042456 -1.9692964304 H 2.4208052257 4.5521401688 -2.2439957130 H 3.9615931617 2.8571537385 -1.3054551791 H 3.7602910768 -0.8288846505 2.0045704237 H 2.1761102353 -0.5542736131 -1.9728718030 H 3.3804304303 -3.2682416466 1.9808200748 H 1.7844682639 -2.9772958380 -1.9805236371 H 2.3763469558 -4.3536671054 -0.0077661152 --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_RS CONF72 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_RS CONF72 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_RS CONF72 water 0 1