27 ====Geometry adopted from the database==== Cr -0.000216 -0.000037 0.051619 C 0.010770 2.106343 0.047661 O 0.043992 3.232446 0.058779 C 2.103240 0.093857 0.032953 O 3.227288 0.169044 0.026268 C -0.010517 -2.106409 0.047270 O -0.043728 -3.232517 0.058158 C -2.103193 -0.093586 0.032422 O -3.227190 -0.168885 0.025229 O -0.000168 -0.000263 2.173178 C -0.795980 0.798413 3.033013 C -0.502232 0.505042 4.333673 C 0.502035 -0.505164 4.334327 C 0.795506 -0.798594 3.033736 H -1.482720 1.487226 2.561890 H -0.962573 0.968702 5.199711 H 1.481931 -1.487027 2.562163 H 0.962998 -0.969065 5.200281 O 0.000016 0.000042 -2.212623 C -0.790193 0.790623 -3.069416 C -0.499721 0.500582 -4.382503 C 0.499927 -0.500663 -4.382725 C 0.790466 -0.790306 -3.069636 H -1.478766 1.480976 -2.601858 H -0.964562 0.966395 -5.245687 H 1.478756 -1.480699 -2.601951 H 0.964962 -0.966587 -5.245935