%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Fenpropathrin CONF21 water 0 1 O 0.0125180352 2.3350439754 0.5355019394 O 0.8463469342 1.6231577800 -1.4129813122 O -2.1485913832 -2.1758910673 0.9087094554 N -2.3445235008 4.5078366851 1.2847985748 C 2.8579240550 0.1923639813 0.6216504850 C 3.5992722760 1.3677302488 0.0721352129 C 2.1847738651 1.5720309840 0.5951632260 C 2.3641253400 -0.9081317328 -0.2870187759 C 3.1772029410 -0.3486642833 1.9968445238 C 4.6841112903 2.0211213449 0.9018404758 C 3.9226994760 1.4646188167 -1.4014732038 C 1.0062560809 1.8263342348 -0.2356027459 C -1.2409832546 2.5644879681 -0.0722647684 C -2.1447086862 1.3443166020 -0.0539945772 C -1.8487559779 3.6525661311 0.6973557909 C -1.7032947794 0.1242878109 0.4317887576 C -3.4406044584 1.4723021949 -0.5453356031 C -2.5658552532 -0.9652561380 0.4085295751 C -4.2934814573 0.3823417691 -0.5363295598 C -3.8593677363 -0.8498338762 -0.0651097344 C -1.1148685128 -2.8206557452 0.2741254775 C -0.9059100777 -2.7245528823 -1.0962923609 C -0.2993151741 -3.6242370058 1.0604134919 C 0.1302957164 -3.4453607005 -1.6751714866 C 0.7287611199 -4.3412022603 0.4659059939 C 0.9505592140 -4.2552817368 -0.9023017133 H 2.1240462581 2.0471082751 1.5679248810 H 3.1356145256 -1.6750545634 -0.3794227110 H 1.4836908342 -1.3841324016 0.1488654923 H 2.1019812994 -0.5910556974 -1.2918038085 H 2.3155506007 -0.8885238282 2.3942893792 H 4.0092919830 -1.0539452110 1.9448561518 H 3.4375155621 0.4228668323 2.7181843382 H 5.6192869103 1.4651196414 0.8140934456 H 4.8698988767 3.0349915592 0.5435779405 H 4.4368770531 2.0935730483 1.9589815497 H 3.2320079723 0.9466438454 -2.0585482571 H 3.9578006576 2.5093851249 -1.7149357633 H 4.9143931613 1.0422506999 -1.5749297044 H -1.1280293678 2.9200744464 -1.1024452942 H -0.7105557043 -0.0067174535 0.8427642717 H -3.7885134122 2.4234597349 -0.9298084088 H -5.3028321338 0.4867494637 -0.9097260711 H -4.5183938255 -1.7081021760 -0.0663336932 H -1.5417536326 -2.1051923756 -1.7161252865 H -0.4716376454 -3.6889390960 2.1273220505 H 0.2903607571 -3.3722671143 -2.7430050031 H 1.3629602629 -4.9663698301 1.0806594740 H 1.7552603099 -4.8136485116 -1.3613776601 --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 Fenpropathrin 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 Fenpropathrin 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 Fenpropathrin CONF21 water 0 1