%nproc=16 %mem=60000mb %chk=C034.chk #P M06L/DEF2SVP/W06 EMPIRICALDISPERSION(gd3) SCRF(smd, solvent=TetraHydroFuran) OPT FREQ INT(ultrafine) SCF(tight) C34 0 1 Ru 11.4048380000 9.5058620000 4.3521070000 Cl 13.4956980000 10.6030940000 5.1489320000 Cl 9.3691840000 8.1935930000 3.7765200000 P 12.5295830000 7.7106710000 3.3556470000 N 11.7372620000 8.1518120000 6.1566580000 P 10.3837870000 10.8369780000 5.9834630000 C 10.9683130000 10.0232880000 7.5440410000 C 12.4625850000 6.3593310000 4.6422520000 H 12.1248420000 5.4173340000 4.1872550000 H 13.4949140000 6.1828470000 4.9800780000 C 11.5775090000 6.7335280000 5.8106120000 H 10.5181210000 6.5836840000 5.5597570000 H 11.8068140000 6.0878500000 6.6770940000 C 10.9794520000 8.5226170000 7.3602600000 H 11.3997450000 8.0278670000 8.2535230000 H 9.9584830000 8.1263600000 7.2455220000 H 12.7268270000 8.3466320000 6.3435380000 H 11.9924740000 10.3953680000 7.7109830000 H 10.3612520000 10.3148740000 8.4137850000 C 11.8738580000 6.9778700000 1.8084920000 C 12.1760040000 5.6760900000 1.3992230000 C 11.0820910000 7.7824330000 0.9872390000 C 11.6904060000 5.1922430000 0.1831940000 C 10.6119710000 7.3002480000 -0.2334300000 C 10.9096530000 6.0019830000 -0.6422470000 H 12.8009100000 5.0295290000 2.0217460000 H 10.8245050000 8.7923660000 1.3138690000 H 10.5363630000 5.6222380000 -1.5947550000 C 14.3417760000 7.7312080000 3.0196400000 C 15.2008350000 7.9794550000 4.0944970000 C 14.8915050000 7.6115040000 1.7367410000 C 16.5764280000 8.1104260000 3.8917560000 C 16.2641070000 7.7406380000 1.5410390000 C 17.1177430000 7.9979220000 2.6160290000 H 14.8040180000 8.0778970000 5.1080500000 H 14.2502380000 7.4191740000 0.8739720000 H 18.1922840000 8.1020510000 2.4548790000 C 10.9323330000 12.5765640000 6.1707010000 C 11.4793310000 13.2035380000 5.0529370000 C 10.8727490000 13.2774630000 7.3816270000 C 11.9573800000 14.5112810000 5.1300020000 C 11.3523060000 14.5844010000 7.4553080000 C 11.8986690000 15.2103330000 6.3306650000 H 11.5648930000 12.6489050000 4.1172900000 H 10.4525330000 12.8079870000 8.2743640000 H 12.2810950000 16.2309880000 6.3994160000 C 8.5642160000 10.9457040000 6.2611490000 C 7.8239740000 9.7585090000 6.2949590000 C 7.8771330000 12.1627920000 6.3635080000 C 6.4358060000 9.7890760000 6.4420600000 C 6.4907280000 12.1855250000 6.5039660000 C 5.7575390000 10.9985090000 6.5467390000 H 8.3180440000 8.7942720000 6.1644260000 H 8.4173110000 13.1109960000 6.3168510000 H 4.6716820000 11.0209260000 6.6498120000 N 10.0675340000 11.4596310000 2.3670310000 C 11.1824750000 10.7515340000 2.7601740000 C 10.3255110000 12.2661600000 1.2753440000 C 11.6219970000 12.0637280000 0.9389740000 N 12.1288780000 11.1505270000 1.8427430000 H 12.2300930000 12.4776000000 0.1402650000 H 9.5621870000 12.9057700000 0.8424810000 C 8.8110200000 11.5221120000 3.0718060000 H 8.8266100000 12.3305670000 3.8205700000 H 8.6055080000 10.5623710000 3.5565960000 H 8.0060790000 11.7380290000 2.3591910000 C 13.4528180000 10.5981700000 1.7032680000 H 13.8661020000 10.3564320000 2.6880050000 H 14.1040430000 11.3351970000 1.2181540000 H 13.4270310000 9.6963070000 1.0706240000 C 5.7011360000 8.4813000000 6.4448510000 F 4.3860870000 8.6287900000 6.6486450000 F 5.8535360000 7.8281720000 5.2806050000 F 6.1626570000 7.6579220000 7.4044560000 C 5.7666810000 13.4916530000 6.6443710000 F 6.4761340000 14.5224560000 6.1632810000 F 4.5898680000 13.4813130000 5.9986210000 F 5.4933660000 13.7741650000 7.9321330000 C 12.0566380000 3.8065040000 -0.2602380000 F 13.2177440000 3.7929230000 -0.9427220000 F 12.2137790000 2.9738870000 0.7798570000 F 11.1292030000 3.2696880000 -1.0656540000 C 9.7359140000 8.1858820000 -1.0685310000 F 10.1246050000 9.4707450000 -1.0042770000 F 9.7379650000 7.8312590000 -2.3613980000 F 8.4558290000 8.1530990000 -0.6562170000 C 16.8636810000 7.6156500000 0.1722900000 F 17.4531960000 8.7613430000 -0.2157020000 F 17.8170260000 6.6681900000 0.1330870000 F 15.9559140000 7.3037540000 -0.7618410000 C 17.4440840000 8.3854610000 5.0835580000 F 17.1211090000 9.5480900000 5.6743650000 F 17.3049900000 7.4322210000 6.0244800000 F 18.7444430000 8.4457470000 4.7714350000 C 11.3108250000 15.3519380000 8.7437060000 F 10.6237210000 16.5010470000 8.6142870000 F 10.7393630000 14.6594140000 9.7370130000 F 12.5446660000 15.6923530000 9.1560910000 C 12.5257030000 15.1232520000 3.8847370000 F 13.2012130000 16.2528430000 4.1267700000 F 13.3635820000 14.2786300000 3.2572570000 F 11.5574670000 15.4224520000 2.9968520000