%nproc=12 %Mem=12000MB %Chk=IE9_D_TS10_20_enan_F_A_more #p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint opt freq 1 1 Au -1.33961200 6.03072500 5.92072700 C -4.51360900 4.39991500 6.85215600 C -5.32044200 3.88802100 7.89855600 C -6.67890600 3.60044600 7.72766500 C -7.27144300 3.80788900 6.47412800 C -6.49037300 4.30311800 5.42487200 C -5.11465700 4.61443400 5.57877300 C -4.46241700 5.12242100 4.33394300 C -4.43888300 4.28592600 3.19702800 C -4.09628500 4.76681800 1.93055100 C -3.78825900 6.14041300 1.74152600 C -3.79491900 6.98524000 2.88405400 C -4.11491900 6.47908300 4.15089300 C -2.96538600 7.98245800 0.22574800 C -3.13630000 8.12169600 -1.30563300 C -2.83293600 6.69842300 -1.79823400 C -3.52242800 5.80104900 -0.73285600 C -2.00182500 2.82539100 6.99549300 C -2.50840200 5.28982700 8.98575000 P -2.70080600 4.59692400 7.18379200 N -3.50737100 6.64098000 0.47426900 H -3.56081700 8.74834200 0.75696600 H -2.46917000 8.88418100 -1.73809300 H -4.18092300 8.40026900 -1.53146800 H -1.74416600 6.51395600 -1.78082300 H -3.20404800 6.49366300 -2.81455300 H -2.92200900 4.88239400 -0.57598200 H -4.87716600 3.68535100 8.87290500 H -7.26152800 3.20961000 8.56846300 H -8.33205800 3.58788000 6.31253500 H -6.94571300 4.47635900 4.44390600 H -4.72603700 3.23344900 3.30275600 H -4.11190100 4.07690700 1.08323800 H -4.14679800 7.16518900 5.00536000 H -3.57975100 8.05180600 2.77994900 C 0.23901700 7.38159800 5.47838600 C -0.02373100 8.72826700 4.95185500 C 0.80090300 9.82394000 5.30969800 C -1.13180000 8.90570500 4.10371000 C 0.52340300 11.07864300 4.71291400 C -1.43066200 10.17443800 3.58865100 H -1.74822100 8.04788600 3.83333300 C -0.58775800 11.26557800 3.86461000 H -0.78983800 12.24603100 3.43564200 C 1.34280400 6.86213800 5.96979200 C 1.92757100 5.65330600 6.51653800 C 2.24047400 4.56171100 5.66777700 C 2.19160800 5.54473700 7.90533600 C 2.79184100 3.38891600 6.20225300 H 2.03186800 4.64429900 4.60104200 C 2.73886800 4.36916900 8.43129100 C 3.04480100 3.28966600 7.58076800 H 3.47756500 2.37270500 7.99464500 C -1.07881000 5.87476000 9.13476800 H -0.29140000 5.12846000 8.94688800 H -0.90610900 6.72693100 8.45485100 H -0.95897300 6.23936600 10.17279400 C -2.69474500 4.27726500 10.14003700 H -3.68453000 3.79799100 10.17244700 H -1.92817100 3.48511400 10.11971100 H -2.57639000 4.82352800 11.09448900 C -3.51871300 6.45551100 9.10300500 H -3.40506200 7.16558400 8.26219800 H -4.56567900 6.11178100 9.12497400 H -3.32002300 7.00777700 10.04047300 C -0.54472200 2.80947000 7.49903700 H 0.06043500 3.60188700 7.02614500 H -0.47606600 2.92373400 8.59334800 H -0.08376900 1.83941300 7.23704500 C -2.84163600 1.75680000 7.72354300 H -2.37309200 0.76919800 7.55384700 H -2.88568900 1.92008600 8.81186400 H -3.87274000 1.71103100 7.33534500 C -2.01987000 2.53376300 5.47585800 H -1.63572100 1.51037200 5.30487000 H -3.04041000 2.58776300 5.05980000 H -1.38150600 3.24069800 4.91596200 H 3.02349400 2.54963800 5.53827600 H 2.92485100 4.29113100 9.50733100 O -2.56160700 10.25233100 2.81057000 O 1.38964700 12.09421000 5.02898900 H 1.94487900 6.38214100 8.56569300 C 1.87038100 9.71008300 6.38401600 H 2.52963400 10.59498700 6.32671100 H 1.37382600 9.76342200 7.37242400 C 2.73287900 8.46378000 6.36541600 H 2.97280600 8.04398600 7.34955600 C 3.57444300 8.10364400 5.31899700 C 4.56439300 6.98693900 5.45945700 H 5.57484000 7.35203900 5.19379100 H 4.59174300 6.55417800 6.47110300 H 4.32411300 6.18068200 4.73797200 C 3.61012100 8.86993500 4.03091500 H 4.34970400 9.68900800 4.14444900 H 3.94946800 8.24068600 3.19225600 H 2.64658900 9.34286800 3.78941500 C 1.27155900 13.32731000 4.30190700 H 1.32758300 13.14922100 3.21259900 H 0.33038500 13.85553000 4.54738800 H 2.12582000 13.94075300 4.62349500 C -2.93511700 11.54134200 2.29879300 H -3.14017700 12.25450800 3.11915200 H -2.14992300 11.95318400 1.63871600 H -3.85327400 11.37284900 1.71777600 C -4.93709000 5.38786800 -1.14244000 C -5.11598700 4.31387700 -2.03265100 C -6.06581400 6.07921500 -0.67499000 C -6.40386200 3.94611400 -2.45256500 H -4.24596400 3.76405600 -2.40757200 C -7.35244600 5.70294400 -1.09421400 H -5.93688300 6.90999700 0.02466200 C -7.53357300 4.63546100 -1.98458000 H -8.53478700 4.34881200 -2.31361900 C -1.50477200 8.11903900 0.66256900 C -0.85825000 9.36425400 0.55961900 C -0.79470200 7.02661000 1.17744700 C 0.47197900 9.50854700 0.97541100 H -1.40486900 10.23086200 0.17728000 C 0.54174100 7.17356200 1.58120200 H -1.28904500 6.05899900 1.28965200 C 1.19016900 8.40691400 1.46824400 H 2.23033200 8.51936900 1.77142400 C -8.54836100 6.42066800 -0.51442700 C -6.57147000 2.75184600 -3.36272900 F -9.65762100 6.29097100 -1.29497600 F -8.86663500 5.92993300 0.72150000 F -8.30779900 7.75525200 -0.35688400 F -7.74339200 2.79520100 -4.05658700 F -6.56901100 1.58360300 -2.65218900 F -5.55657500 2.66226000 -4.27076000 C 1.26882700 5.96494500 2.10715500 C 1.16757500 10.84259100 0.86059300 F 1.73373500 5.16529400 1.10599200 F 0.44871300 5.18317700 2.88181700 F 2.34639500 6.30287400 2.88116400 F 0.29022900 11.89178800 0.90452500 F 1.86030600 10.95652000 -0.30883600 F 2.07045600 11.03241000 1.87238700 C H P F N O 0 6-31G* **** Au 0 SDD **** Au 0 SDD