%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization pyraclostrobin CONF87 gas 0 1 Cl -5.8429896992 0.5005462170 2.3892848161 O 1.7570578048 -2.2040214702 -1.5870300727 O 1.4021367400 2.1767370543 1.1914195085 O 3.2413744797 1.2393171785 2.6454293528 O 4.3555608786 0.4000936138 0.8796311346 N -1.5499127045 -1.7942863319 -0.9386241840 N 2.3001965407 1.3131803017 0.6207950720 N -0.2663340161 -1.5039384565 -0.6690379440 C 2.3765724102 0.1352895645 -1.5150392363 C 2.3280261128 1.3269420403 -0.7958081614 C 2.4348015233 -1.2073632667 -0.8359745152 C 2.3994018968 0.2065845436 -2.9057409371 C 2.2637830074 2.5518743070 -1.4532532195 C 0.4268777925 -2.2047163516 -1.5315163098 C -2.5713345042 -1.2412536585 -0.1576642180 C 2.3393564655 1.4216422287 -3.5632166862 C 2.2637530037 2.5995777326 -2.8339649182 C -1.6642304302 -2.6775902038 -1.9561958711 C -0.3996268391 -2.9735699560 -2.3803253501 C -3.8216828967 -0.9858928690 -0.7068411164 C -2.3337261849 -0.9482677089 1.1805266756 C 3.3976735628 0.9513528739 1.3589725271 C -4.8336371364 -0.4596436142 0.0786276749 C -3.3381043304 -0.4054705535 1.9611407088 C -4.5879693640 -0.1676925794 1.4100918353 C 0.1760488881 1.5099259642 1.4400411824 C 4.3094257704 0.8542554994 3.4973325434 H 3.4676751079 -1.5478704092 -0.7668990157 H 2.0324601110 -1.1531167806 0.1774645182 H 2.4479443185 -0.7078148010 -3.4820611160 H 2.2117184346 3.4657459597 -0.8774862135 H 2.3513357477 1.4495641719 -4.6446424976 H 2.2160488340 3.5549216604 -3.3392385853 H -2.6201757000 -3.0509822424 -2.2834913014 H -0.1034494117 -3.6444298059 -3.1676021570 H -4.0093571678 -1.1704576660 -1.7561826333 H -1.3624010340 -1.1538235456 1.6067830535 H -5.8043740267 -0.2596529900 -0.3527876615 H -3.1518015419 -0.1810330394 3.0021186635 H -0.2279479035 1.0543419504 0.5339031383 H 0.2903785531 0.7402559592 2.2078062301 H -0.5118902984 2.2731724968 1.7991305905 H 5.2443913293 1.3419850844 3.2212210010 H 4.4647311384 -0.2250872980 3.4901497439 H 4.0189688634 1.1707768803 4.4954699790 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction pyraclostrobin CONF87 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 pyraclostrobin CONF87 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point pyraclostrobin CONF87 gas 0 1