%nprocshared=32
%mem=96GB
#p  B3LYP EmpiricalDispersion=GD3  freq SCRF=(SMD,SOLVENT=dichloromethane) GEN pseudo=read  scfcyc=100 scf=xqc

Ru-H + water

 0 1
29      -0.173903000      0.072537000     -0.410615000
7        0.703852000      1.483604000     -1.728977000
7        0.398604000      1.359166000     -3.046592000
7        0.400242000     -1.432634000     -1.834027000
7        0.152440000     -1.149015000     -3.138147000
7       -1.964882000      0.266545000     -1.449693000
7       -1.886832000      0.303854000     -2.806922000
6        1.545667000      2.517968000     -1.606405000
6        1.789615000      3.084197000     -2.877603000
1        2.423597000      3.926677000     -3.112964000
6        1.043283000      2.312972000     -3.759064000
1        0.928494000      2.373077000     -4.832318000
6        2.061485000      2.863092000     -0.257884000
6        2.961115000      1.987885000      0.387251000
6        3.376535000      2.283194000      1.691112000
1        4.070275000      1.608312000      2.188442000
6        2.919671000      3.416988000      2.371965000
6        2.025156000      4.269263000      1.713616000
1        1.651420000      5.150273000      2.231323000
6        1.587596000      4.011848000      0.409626000
6        3.448578000      0.728438000     -0.291241000
1        3.804071000      0.930143000     -1.307416000
1        4.263325000      0.266603000      0.273754000
6        3.398511000      3.728855000      3.769683000
1        2.621779000      4.229640000      4.356832000
1        4.268969000      4.397450000      3.747863000
1        3.699762000      2.821381000      4.302830000
6        0.592633000      4.935352000     -0.254451000
1        0.262893000      5.718680000      0.433880000
1       -0.291524000      4.384697000     -0.594341000
1        1.020995000      5.420633000     -1.138524000
6        1.019427000     -2.619854000     -1.791089000
6        1.176808000     -3.120575000     -3.103477000
1        1.631792000     -4.053419000     -3.403048000
6        0.610857000     -2.153102000     -3.922914000
1        0.501564000     -2.108849000     -4.997522000
6        1.426716000     -3.160824000     -0.470969000
6        0.444017000     -3.489907000      0.486431000
6        0.850596000     -3.896464000      1.764036000
1        0.091262000     -4.145944000      2.502273000
6        2.200413000     -3.980363000      2.117543000
6        3.159406000     -3.654398000      1.149744000
1        4.214980000     -3.708190000      1.408695000
6        2.797196000     -3.248785000     -0.138394000
6       -1.031281000     -3.377144000      0.176721000
1       -1.627205000     -3.946039000      0.896518000
1       -1.263467000     -3.738484000     -0.829915000
1       -1.357871000     -2.332256000      0.219863000
6        2.621773000     -4.421534000      3.499076000
1        3.423815000     -3.787670000      3.893482000
1        3.005183000     -5.449804000      3.485803000
1        1.784882000     -4.391431000      4.203370000
6        3.867141000     -2.886426000     -1.142690000
1        3.664733000     -1.918939000     -1.612754000
1        3.923958000     -3.624219000     -1.951313000
1        4.850592000     -2.837589000     -0.666414000
6       -3.260845000      0.352975000     -1.119228000
6       -4.043551000      0.447989000     -2.290852000
1       -5.118137000      0.534313000     -2.358527000
6       -3.128524000      0.413917000     -3.333953000
1       -3.271133000      0.460695000     -4.404430000
6       -3.647944000      0.330208000      0.312133000
6       -3.284960000      1.402837000      1.155602000
6       -3.608051000      1.333478000      2.515703000
1       -3.330267000      2.160903000      3.165540000
6       -4.275595000      0.231026000      3.060870000
6       -4.618612000     -0.823739000      2.207308000
1       -5.126549000     -1.694814000      2.615968000
6       -4.315555000     -0.794464000      0.841518000
6       -2.538343000      2.603900000      0.620941000
1       -1.491087000      2.352363000      0.420008000
1       -2.557051000      3.429567000      1.338172000
1       -2.963822000      2.955927000     -0.324578000
6       -4.642527000      0.194070000      4.525132000
1       -5.623118000      0.657280000      4.695995000
1       -3.915897000      0.740913000      5.134721000
1       -4.699749000     -0.833307000      4.898765000
6       -4.673497000     -1.970574000     -0.037907000
1       -5.047878000     -2.806533000      0.559843000
1       -3.805405000     -2.318855000     -0.607714000
1       -5.446254000     -1.707591000     -0.769008000
5       -0.514834000      0.198577000     -3.522871000
1       -0.667764000      0.257356000     -4.713351000
1        2.639200000     -0.003087000     -0.379633000
6        0.897317000     -0.291241000      2.414534000
7        0.383218000     -0.120063000      1.389780000
6        1.570368000     -0.515558000      3.682058000
1        1.562484000      0.404046000      4.274536000
1        2.606079000     -0.814054000      3.494600000
1        1.063365000     -1.309515000      4.238011000

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

Cu 0
SDD





