%chk=2DC_amino_rad.chk %Mem=24000MB %NProc=24 #p M06/6-31+G(d,p) scrf=(cpcm,solvent=acetonitrile) opt freq NoSymm SCF=(XQC) coments 1 2 C 3.57805645 -0.52548171 1.29473700 H 4.43062149 -0.32210917 0.62990516 C 2.44398611 -1.11429681 0.43221620 C 1.89942984 -0.13569051 -0.63772364 H 2.71374202 0.40129819 -1.07754043 N 2.79155068 -2.42378965 -0.12403671 H 2.29774455 -3.22714026 0.23948705 C 3.90623918 -2.76684159 -0.82482439 O 4.54672002 -1.68439096 -1.27845962 O 4.23557838 -3.92957548 -1.02499365 C 5.88185836 -1.76544130 -1.88343620 C 5.82881456 -2.54732551 -3.18392749 H 6.80064273 -2.46743484 -3.68640100 H 5.60931844 -3.60388679 -3.01198849 H 5.06679581 -2.11810352 -3.84707987 C 6.20357060 -0.30791716 -2.15933448 H 6.17017247 0.28174070 -1.23465926 H 7.20744009 -0.22283338 -2.59062048 H 5.48393988 0.11025275 -2.87326446 C 6.85626651 -2.35009723 -0.87642339 H 6.63701774 -3.40029868 -0.66405206 H 7.87430425 -2.28246773 -1.27762710 H 6.82116635 -1.78007963 0.06110326 C 3.18316629 0.78787516 1.95880195 H 4.00249379 1.14042803 2.59669093 H 2.95360095 1.57711508 1.23537780 H 2.29895529 0.65108537 2.59785781 C 4.01245885 -1.52637793 2.36045068 H 3.16174634 -1.79574908 3.00549642 H 4.41110076 -2.45350300 1.93074209 H 4.79460455 -1.09249892 2.99492766 O 0.99789725 0.78557565 -0.02386206 B 0.19306779 1.66725794 -0.69558691 O 0.34714945 1.77671762 -2.04358333 C -0.83357761 2.47419650 0.17695192 C -1.23265663 3.78576597 -0.12417459 C -1.37099718 1.88078771 1.33034354 C -2.13414517 4.47328872 0.68530433 H -0.82238872 4.29340811 -0.99600726 C -2.28688978 2.55306367 2.13499278 H -1.06409039 0.86988863 1.59697724 C -2.67074292 3.85385013 1.81252317 H -2.41938465 5.49270811 0.43523287 H -2.69704542 2.06592331 3.01694068 H -3.38156548 4.38566211 2.44104339 C -0.48416631 2.46787294 -2.95526767 H 0.04016607 3.37078109 -3.29681321 H -1.42159074 2.76975146 -2.47732368 C -0.71687216 1.57585113 -4.16471455 H 0.28995795 1.31601033 -4.52916504 C -1.44044112 2.27060884 -5.33296117 H -1.51040931 1.50055285 -6.11793595 N -1.30606464 0.27431813 -3.82802646 H -0.74624924 -0.53370079 -4.06661859 C -2.56454949 -0.07778286 -3.44350074 O -2.89659685 -1.24794681 -3.29044632 O -3.34829779 0.98399691 -3.23619920 C -4.78161069 0.86060112 -2.94328494 C -5.48213132 0.06695435 -4.03244521 H -5.21114417 -0.99114746 -4.00631916 H -6.56599759 0.15429595 -3.89185765 H -5.23741427 0.47490122 -5.02102801 C -5.24018828 2.30841364 -2.96303632 H -6.30431878 2.36598167 -2.70748100 H -4.67159596 2.90047946 -2.23466889 H -5.09562093 2.74576946 -3.95850053 C -4.97633894 0.25801662 -1.56500145 H -6.04698176 0.23161845 -1.32870536 H -4.58123733 -0.76139925 -1.51130399 H -4.47936447 0.88078180 -0.80966666 C -0.61395325 3.42382704 -5.89468485 H -0.61936454 4.29240800 -5.22313986 H 0.43055977 3.13319646 -6.06481676 H -1.02958679 3.75604734 -6.85284799 C -2.85586261 2.73395269 -5.00977417 H -3.49125392 1.91274759 -4.66035229 H -2.85738117 3.51284348 -4.23484683 H -3.32174765 3.16184990 -5.90547441 H 1.38441298 -0.68707298 -1.39642978 --Link1-- %chk=2DC_amino_rad.chk %Mem=24000MB %NProc=24 #p M06/6-311++G(3d,2p) scrf=(cpcm,solvent=acetonitrile) guess=read geom=allcheck SCF=(XQC) gfprint gfinput --Link1-- %chk=2DC_amino_rad.chk %Mem=24000MB %NProc=24 #p M062X/6-311++G(3d,2p) scrf=(cpcm,solvent=acetonitrile) guess=read geom=allcheck SCF=(XQC) gfprint gfinput --Link1-- %chk=2DC_amino_rad.chk %Mem=24000MB %NProc=24 #p PBE1PBE/6-311++G(3d,2p) scrf=(cpcm,solvent=acetonitrile) EmpiricalDispersion=GD3BJ guess=read geom=allcheck SCF=(XQC) gfprint gfinput