%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization piperalin CONF8 gas 0 1 Cl 3.6434181473 0.2306610672 -1.4119172936 Cl 4.0939417848 1.0590549325 1.5883297271 O -1.6687748739 -2.1285411764 0.9309367609 O -0.9833381477 -2.2995877645 -1.1940412810 N -2.5925403476 0.4705421376 -0.2094611771 C -2.1989229913 1.5711293295 0.6679107898 C -0.8777309898 2.1745272979 0.1870838899 C -2.6969246542 0.8489122793 -1.6069400125 C -0.9290299408 2.5933286655 -1.2760189435 C -1.3887528909 1.4202151329 -2.1287758515 C -3.7698777373 -0.2393599296 0.2574018206 C -3.2711627185 2.6514304619 0.8581592728 C -3.8236440807 -1.6960186652 -0.2010068569 C -2.9573880820 -2.6469825113 0.6118888594 C -0.8129354485 -1.9328505892 -0.0620495600 C 0.4132394140 -1.2293158960 0.3989766968 C 1.3646924380 -0.9014838612 -0.5569520914 C 0.6184164028 -0.8641014694 1.7253385699 C 2.4987293246 -0.1921284718 -0.2036532961 C 1.7577791614 -0.1677290792 2.0831685531 C 2.6980225970 0.1777839128 1.1237227202 H -2.0108926861 1.1216421215 1.6500183527 H -0.0860463867 1.4343728118 0.3148457842 H -0.6164932227 3.0230405052 0.8242521430 H -3.5129839283 1.5728679727 -1.7813496847 H -2.9510876599 -0.0374802270 -2.1908413209 H 0.0541274773 2.9418244463 -1.5992471617 H -1.6120366768 3.4381544744 -1.4097635581 H -1.5148906560 1.7203841716 -3.1713200993 H -0.6314956401 0.6324728853 -2.1129717213 H -3.7796142111 -0.2109483998 1.3518087929 H -4.6978750687 0.2615642750 -0.0619549551 H -4.1962739285 2.2398259447 1.2634895873 H -2.9219325419 3.4091350060 1.5609514188 H -3.5223840977 3.1629378337 -0.0716009160 H -4.8517899829 -2.0562058243 -0.1014936265 H -3.5834503984 -1.7750817892 -1.2607884315 H -2.8643205439 -3.6101845534 0.1039735343 H -3.4123379665 -2.8262044752 1.5865689212 H 1.2109844157 -1.1895210799 -1.5878591855 H -0.1096842676 -1.1107628528 2.4838437944 H 1.9216505624 0.1211063474 3.1119301495 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction piperalin CONF8 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 piperalin CONF8 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point piperalin CONF8 gas 0 1