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

Ru-H + water

 0 1
 29                   -0.27295   0.96504   1.48657 
 7                    -1.9525    2.81117   2.99353 
 6                    -1.72488   1.61855   2.52341 
 1                    -2.58066   0.96065   2.71478 
 6                    -3.23131   3.19634   3.63873 
 1                    -3.78478   2.2742    3.82684 
 1                    -2.9943    3.65666   4.60335 
 6                    -4.0511    4.14776   2.76917 
 1                    -4.23292   3.70694   1.78493 
 1                    -3.54825   5.1096    2.63453 
 1                    -5.01498   4.3366    3.25212 
 6                    -0.9276    3.88304   2.86817 
 1                    -1.19144   4.67468   3.57287 
 1                     0.02297   3.44863   3.18013 
 6                    -0.81494   4.43416   1.44966 
 1                    -1.74728   4.89485   1.11741 
 1                    -0.55828   3.63307   0.7511 
 1                    -0.02128   5.18696   1.41874

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

Cu 0
SDD





