%nprocshared=16
%mem=48GB
#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       0.007507000      0.033332000      1.970403000
7        1.129825000     -1.271873000      0.700830000
7        0.939584000     -1.127695000     -0.643032000
7       -1.676611000     -0.351824000      0.721786000
7       -1.458731000     -0.318621000     -0.625534000
7        0.522763000      1.625983000      0.629989000
7        0.440398000      1.350212000     -0.704045000
6        2.016403000     -2.246335000      0.861902000
6        2.429074000     -2.766313000     -0.377947000
6        1.713577000     -2.019097000     -1.307614000
6       -2.968858000     -0.599698000      0.896783000
6       -3.631135000     -0.733187000     -0.336647000
6       -2.624436000     -0.544892000     -1.277698000
6        0.957817000      2.875134000      0.738557000
6        1.172055000      3.449267000     -0.527364000
6        0.828026000      2.435703000     -1.415618000
5       -0.035783000     -0.047458000     -1.183328000
1       -0.055871000     -0.080910000     -2.365096000
35       1.760946000     -2.165383000     -3.174027000
35       3.656153000     -4.143335000     -0.706249000
35       2.569662000     -2.770066000      2.577248000
35      -2.781356000     -0.580572000     -3.143521000
35      -5.445603000     -1.082209000     -0.645782000
35      -3.697547000     -0.734052000      2.620902000
35       0.869987000      2.489671000     -3.287100000
35       1.779012000      5.175487000     -0.928935000
35       1.215375000      3.662953000      2.422766000
6        0.162056000      0.250003000      5.013018000
7        0.095262000      0.151077000      3.861273000
6        0.249180000      0.378915000      6.456851000
1        0.315305000      1.436953000      6.728159000
1        1.139671000     -0.142714000      6.820455000
1       -0.639836000     -0.057779000      6.921639000

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

Cu 0
SDD





