%nprocshared=24
%mem=96GB
#p  B3LYP EmpiricalDispersion=GD3 integral=(grid=ultrafine)   freq  SCRF=(SMD,SOLVENT=dichloromethane) GEN pseudo=read  scfcyc=100 scf=xqc

Ru-H + water

 0 1
29       0.014056000     -0.007345000     -0.313712000
7        1.549104000     -0.836553000     -1.424040000
7        1.309088000     -0.704716000     -2.758151000
7       -1.474746000     -0.917347000     -1.431161000
7       -1.229648000     -0.778537000     -2.763988000
7       -0.036681000      1.736404000     -1.434855000
7       -0.025350000      1.455236000     -2.767210000
6        2.720260000     -1.473765000     -1.286558000
6        3.254838000     -1.760266000     -2.562555000
1        4.180960000     -2.268581000     -2.787018000
6        2.325876000     -1.257071000     -3.461084000
1        2.314181000     -1.254173000     -4.541915000
6        3.239650000     -1.772691000      0.068870000
6        2.516360000     -2.634035000      0.925068000
6        3.005796000     -2.874245000      2.214044000
1        2.451378000     -3.541115000      2.871236000
6        4.187904000     -2.285998000      2.677803000
6        4.883786000     -1.431852000      1.815503000
1        5.798060000     -0.955480000      2.162989000
6        4.430956000     -1.163505000      0.518821000
6        1.228560000     -3.292402000      0.481042000
1        1.305491000     -3.683840000     -0.538396000
1        0.958981000     -4.114832000      1.149858000
6        4.711348000     -2.590554000      4.060780000
1        5.369277000     -1.795482000      4.425145000
1        5.291686000     -3.522364000      4.063744000
1        3.895047000     -2.716969000      4.779498000
6        5.200847000     -0.208114000     -0.364306000
1        6.012179000      0.269929000      0.191760000
1        4.550292000      0.578128000     -0.763230000
1        5.641801000     -0.719884000     -1.226705000
6       -2.617581000     -1.605624000     -1.302019000
6       -3.125962000     -1.922373000     -2.581867000
1       -4.031521000     -2.463679000     -2.812879000
6       -2.215398000     -1.376451000     -3.473833000
1       -2.199187000     -1.367916000     -4.554580000
6       -3.154222000     -1.901411000      0.047281000
6       -3.533612000     -0.842887000      0.902498000
6       -4.025231000     -1.145988000      2.178505000
1       -4.328753000     -0.330261000      2.831384000
6       -4.145063000     -2.463522000      2.631160000
6       -3.757084000     -3.496337000      1.769245000
1       -3.838375000     -4.527772000      2.105798000
6       -3.261763000     -3.239912000      0.486902000
6       -3.422406000      0.603864000      0.474264000
1       -4.028321000      1.249264000      1.116747000
1       -3.741205000      0.746193000     -0.563000000
1       -2.385028000      0.954492000      0.529968000
6       -4.654561000     -2.767198000      4.019671000
1       -3.822756000     -2.916277000      4.720192000
1       -5.255682000     -3.682328000      4.033939000
1       -5.267574000     -1.948929000      4.409915000
6       -2.831544000     -4.389124000     -0.396239000
1       -1.817794000     -4.236865000     -0.783052000
1       -3.487565000     -4.499409000     -1.266589000
1       -2.847676000     -5.332598000      0.156651000
6       -0.070250000      3.070212000     -1.305132000
6       -0.083107000      3.669059000     -2.585025000
1       -0.104257000      4.723876000     -2.816081000
6       -0.051332000      2.607829000     -3.477171000
1       -0.043404000      2.589602000     -4.557879000
6       -0.076568000      3.678196000      0.046466000
6        1.017179000      3.474466000      0.915622000
6        0.975677000      4.033150000      2.200421000
1        1.822982000      3.882301000      2.865876000
6       -0.117142000      4.781144000      2.645846000
6       -1.192638000      4.968129000      1.767769000
1       -2.055095000      5.542367000      2.100059000
6       -1.193779000      4.429732000      0.478272000
6        2.226808000      2.667816000      0.497414000
1        2.018793000      1.592189000      0.540108000
1        3.077885000      2.870530000      1.153916000
1        2.522334000      2.883861000     -0.533872000
6       -0.153775000      5.368870000      4.036184000
1       -0.366110000      6.443853000      4.007369000
1        0.796001000      5.224806000      4.559479000
1       -0.942936000      4.904048000      4.639964000
6       -2.392011000      4.633617000     -0.420739000
1       -3.209573000      5.115668000      0.122681000
1       -2.759878000      3.680468000     -0.816631000
1       -2.148486000      5.260838000     -1.285167000
5        0.019622000     -0.011112000     -3.278220000
1        0.022516000     -0.014472000     -4.479377000
1        0.398351000     -2.576591000      0.475157000

Cu 0
SDD
F 1 1.00
3.525 1.0
*****
B C N H 0
6-31g(d,p)
 ****

Cu 0
SDD





