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

Ru-H + water

 0 1
29      -0.003039000     -0.015786000     -2.060349000
7       -1.523752000     -0.792898000     -0.834775000
7       -1.194202000     -0.846216000      0.470517000
7        1.446600000     -0.942133000     -0.840303000
7        1.334131000     -0.625711000      0.464551000
7        0.074131000      1.703386000     -0.845564000
7       -0.122389000      1.452912000      0.463520000
6       -2.536803000     -1.633873000     -1.028909000
6       -2.878888000     -2.270799000      0.177837000
6       -1.996914000     -1.737318000      1.114373000
6        2.686335000     -1.382334000     -1.042049000
6        3.418981000     -1.341778000      0.158112000
6        2.515890000     -0.855771000      1.099989000
6       -0.161664000      2.997957000     -1.046898000
6       -0.534575000      3.618775000      0.159249000
6       -0.495917000      2.595355000      1.102870000
5        0.007438000     -0.005494000      1.009176000
1        0.010094000     -0.002528000      2.186941000
35      -4.230537000     -3.553670000      0.426159000
35       5.219331000     -1.831415000      0.390135000
35      -0.977788000      5.430196000      0.398932000
6        3.098933000     -1.717998000     -2.442084000
9        3.494909000     -0.605933000     -3.107703000
9        4.111155000     -2.597276000     -2.479906000
9        2.064027000     -2.240250000     -3.139393000
6        2.683047000     -0.569209000      2.564012000
9        2.442624000      0.734414000      2.829426000
9        1.827922000     -1.294553000      3.314270000
9        3.927883000     -0.847038000      2.980893000
6       -3.033161000     -1.824326000     -2.428860000
9       -2.973453000     -0.664707000     -3.122555000
9       -2.264320000     -2.717537000     -3.097575000
9       -4.298462000     -2.267236000     -2.467460000
6       -1.831586000     -2.018546000      2.579629000
9       -2.032692000     -0.912737000      3.325832000
9       -2.693305000     -2.956918000      3.000860000
9       -0.581607000     -2.459393000      2.845649000
6       -0.816217000      2.600691000      2.569690000
9       -1.194127000      3.819039000      2.986213000
9       -1.824449000      1.742548000      2.842934000
9        0.243122000      2.223295000      3.314672000
6       -0.110886000      3.510277000     -2.453116000
9        0.121385000      4.829707000     -2.510965000
9        0.855924000      2.882407000     -3.160725000
9       -1.280475000      3.269605000     -3.094945000

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

Cu 0
SDD





