%nprocshared=32
%mem=96GB
#p  B3LYP EmpiricalDispersion=GD3 integral=(grid=ultrafine)  FREQ SCRFDef=AsymmetricIEFPCM  SCRF=(SMD,SOLVENT=dichloromethane) GEN  scfcyc=100 scf=xqc

Ru-H + water

 -1 1
7       -0.549403000      1.745793000     -1.476923000
7       -0.115704000      1.445430000     -2.725483000
7        1.788733000     -0.420298000     -1.449375000
7        1.326331000     -0.640113000     -2.704715000
7       -1.257264000     -1.328492000     -1.448351000
7       -1.201306000     -0.842736000     -2.712007000
6       -0.334448000      3.056311000     -1.308184000
6        0.241235000      3.622102000     -2.474564000
1        0.525174000      4.651324000     -2.643174000
6        0.365244000      2.553361000     -3.347453000
1        0.760558000      2.498436000     -4.352728000
6       -0.625506000      3.692577000      0.001475000
6        0.093962000      3.277274000      1.147292000
6       -0.195565000      3.869554000      2.381667000
1        0.358318000      3.548565000      3.261943000
6       -1.172432000      4.863125000      2.516490000
6       -1.870030000      5.260804000      1.371793000
1       -2.640080000      6.025144000      1.457013000
6       -1.612690000      4.692894000      0.117376000
6        1.169650000      2.217640000      1.057302000
1        1.876448000      2.431939000      0.248864000
1        1.729075000      2.148472000      1.995318000
6       -1.441387000      5.503107000      3.858132000
1       -2.428349000      5.975475000      3.888148000
1       -0.699141000      6.280618000      4.081672000
1       -1.390299000      4.768744000      4.669222000
6       -2.406116000      5.143535000     -1.088200000
1       -3.237617000      5.790302000     -0.792272000
1       -2.814458000      4.288917000     -1.638043000
1       -1.783415000      5.703041000     -1.795634000
6        2.828627000     -1.247740000     -1.280228000
6        3.050202000     -2.016027000     -2.451819000
1        3.811340000     -2.764458000     -2.621130000
6        2.064443000     -1.594834000     -3.328962000
1        1.832759000     -1.903518000     -4.339271000
6        3.525609000     -1.309098000      0.029443000
6        2.800911000     -1.692979000      1.182879000
6        3.459608000     -1.735541000      2.417027000
1        2.899970000     -2.033230000      3.301780000
6        4.815867000     -1.414583000      2.544710000
6        5.517817000     -1.051905000      1.390916000
1        6.574127000     -0.801251000      1.468342000
6        4.896559000     -0.992469000      0.137035000
6        1.340089000     -2.074612000      1.099326000
1        0.988547000     -2.490624000      2.048366000
1        1.164082000     -2.814140000      0.310544000
1        0.714801000     -1.216841000      0.842442000
6        5.492052000     -1.431259000      3.895383000
1        5.367910000     -0.469464000      4.410326000
1        6.567714000     -1.614402000      3.805263000
1        5.067773000     -2.202280000      4.547169000
6        5.701465000     -0.584715000     -1.076480000
1        5.175342000      0.169956000     -1.670134000
1        5.886480000     -1.435408000     -1.742662000
1        6.673152000     -0.175857000     -0.783238000
6       -2.492845000     -1.819594000     -1.286685000
6       -3.253646000     -1.653826000     -2.472508000
1       -4.278181000     -1.948080000     -2.651417000
6       -2.387151000     -1.022881000     -3.350073000
1       -2.526023000     -0.688169000     -4.369098000
6       -2.906498000     -2.375687000      0.026779000
6       -2.898636000     -1.540910000      1.168316000
6       -3.277308000     -2.076644000      2.405784000
1       -3.272816000     -1.430422000      3.281329000
6       -3.665608000     -3.412734000      2.546962000
6       -3.675991000     -4.219850000      1.403929000
1       -3.974272000     -5.262909000      1.492983000
6       -3.302262000     -3.725814000      0.148902000
6       -2.506275000     -0.083566000      1.071890000
1       -1.452954000      0.030271000      0.806184000
1       -2.685646000      0.435176000      2.018407000
1       -3.068221000      0.430327000      0.284391000
6       -4.037061000     -3.980563000      3.896573000
1       -4.884633000     -4.670768000      3.822471000
1       -4.302188000     -3.190340000      4.606015000
1       -3.201003000     -4.544020000      4.331165000
6       -3.317330000     -4.645563000     -1.051256000
1       -3.449261000     -5.687665000     -0.744696000
1       -2.386787000     -4.570601000     -1.623361000
1       -4.131264000     -4.396404000     -1.741790000
5        0.004897000     -0.016388000     -3.213277000
1        0.010252000     -0.027312000     -4.425919000
1        0.751268000      1.232973000      0.833746000

B C N H 0
6-31g(d,p)
 ****










