%nproc=16 %mem=60000mb %chk=C084.chk #P M06L/DEF2SVP/W06 EMPIRICALDISPERSION(gd3) SCRF(smd, solvent=TetraHydroFuran) OPT FREQ INT(ultrafine) SCF(tight) C084 0 1 Ru 2.6523650000 2.0035900000 0.5825820000 Cl 3.5653851560 2.9481752930 2.7043860330 N 1.1504450000 2.8578440000 -0.7964280000 C 1.8067340000 3.8252110000 -1.6783460000 H 1.1945830000 4.0860970000 -2.5559550000 C 3.1358870000 3.2976730000 -2.1124870000 N 3.7589820000 2.4735430000 -1.2435560000 C 2.9014080780 -1.1320657770 0.8122838680 C 1.6297756530 -0.7185832310 0.3133913710 C 2.9662652870 -0.7860809020 2.1953957840 C 0.9087208020 -0.1170520890 1.3881707670 C 1.7347168210 -0.1587679440 2.5513134610 C 1.1322138780 -0.8731816030 -1.1357917180 H 1.9678824640 -1.0027528090 -1.8329127760 H 0.4760114710 -1.7445710190 -1.2415576360 H 0.5659871570 0.0076088910 -1.4593718140 C -0.5034056000 0.4913138310 1.3022060460 H -0.7561903890 0.7691396260 0.2726327700 H -1.2646479530 -0.2165329590 1.6494387390 H -0.5870404310 1.3942256770 1.9177254070 C 1.3702593170 0.3966868210 3.9406444990 H 0.3189929240 0.7033096360 3.9845748290 H 1.5284034240 -0.3530898680 4.7241832030 H 1.9800847880 1.2716030930 4.1931184220 C 4.1638673960 -1.0262913220 3.1332913760 H 3.8403512890 -1.1284308280 4.1754109970 H 4.7041791750 -1.9410550870 2.8642598170 H 4.8779819460 -0.1961054310 3.0892406420 C 4.0167472240 -1.8111131690 -0.0041187470 H 4.8157455990 -2.1853258750 0.6460157790 H 3.6306637610 -2.6625224710 -0.5760884170 H 4.4707989380 -1.1133217580 -0.7168829850 H 3.8257423230 4.1204970230 -2.2285053620 H 0.7379277170 2.0281242440 -1.3704442170 H 4.5643389240 3.0467570820 -1.0924737670 C 3.1577822710 2.6111199520 -3.4908068140 C 2.0577495950 1.8628177870 -3.9428060980 C 4.2783597780 2.7152137320 -4.3321164510 C 2.0772686020 1.2413049110 -5.1902694030 C 4.2984755370 2.0939299230 -5.5796843770 C 3.1978763260 1.3539217110 -6.0147505230 H 1.1811011320 1.7688270830 -3.3094676230 H 5.1397268300 3.2883718100 -4.0034813580 H 1.2150827320 0.6678875800 -5.5186520560 H 5.1759393490 2.1882886590 -6.2130569090 H 3.2133167620 0.8697679150 -6.9867348040 C 1.7520160060 5.2652534560 -1.1353140800 C 2.7659520110 5.7607784170 -0.2982237850 C 0.6867368600 6.1209531790 -1.4628651380 C 2.7167061970 7.0641107270 0.1934302450 C 0.6369322920 7.4243822790 -0.9715240860 C 1.6518178270 7.9022220760 -0.1409280280 H 3.5987213290 5.1173026830 -0.0319557860 H -0.1078430170 5.7593771350 -2.1081325160 H 3.5120554650 7.4254401610 0.8390831390 H -0.1965977480 8.0678764600 -1.2382636390 H 1.6132309690 8.9177328570 0.2420153820 C 4.1112527680 1.1303750500 -1.7259512350 H 5.0263744320 0.7621633020 -1.2483730730 H 3.3145701370 0.4084057800 -1.5134313470 H 4.2796777050 1.1267791760 -2.8088772630 C 0.0775605870 3.5553483100 -0.0730285430 H -0.7877868870 3.7368399280 -0.7205955240 H -0.2700521690 2.9705001590 0.7861719890 H 0.4168429700 4.5267019890 0.3044210110