60
r2SCAN/SA-CASSCF opt doublet
  Ru    -0.088208   -0.060824   -0.090923
  N      0.272132    2.037756    0.008543
  N      1.876953   -0.007717    0.415826
  N      0.337111   -2.129961    0.193585
  N     -1.034907    0.009921    1.854967
  N     -2.200798   -0.113127   -0.541988
  C     -0.586493    3.015537   -0.211083
  H     -1.602823    2.729966   -0.390526
  C     -0.219119    4.344777   -0.224870
  H     -0.952267    5.101648   -0.413624
  C      1.101201    4.654808    0.001429
  H      1.432508    5.674580   -0.003058
  C      2.008394    3.632512    0.233972
  H      3.037615    3.863060    0.407520
  C      1.567371    2.332773    0.227751
  C      2.473579    1.172340    0.456790
  C      3.831706    1.238232    0.689084
  H      4.350049    2.171932    0.729370
  C      4.523016    0.053199    0.859094
  H      5.580305    0.077519    1.035672
  C      3.869112   -1.163149    0.795903
  H      4.416114   -2.073025    0.918374
  C      2.509912   -1.160345    0.560471
  C      1.640534   -2.364092    0.436369
  C      2.121689   -3.643855    0.557035
  H      3.157345   -3.826074    0.748815
  C      1.246959   -4.710375    0.417258
  H      1.609743   -5.715769    0.502651
  C     -0.082043   -4.462699    0.166286
  H     -0.791099   -5.255689    0.046307
  C     -0.490471   -3.149502    0.062634
  H     -1.514897   -2.912613   -0.140149
  C     -0.387683    0.070238    3.009127
  H      0.682077    0.084542    2.958847
  C     -1.026168    0.113549    4.225108
  H     -0.458273    0.161789    5.131360
  C     -2.405131    0.092674    4.230542
  H     -2.949223    0.124630    5.154044
  C     -3.084974    0.029760    3.030172
  H     -4.152760    0.013401    3.030012
  C     -2.371106   -0.010863    1.849502
  C     -3.024849   -0.079312    0.512664
  C     -4.391550   -0.107148    0.348933
  H     -5.051391   -0.080188    1.188327
  C     -4.917300   -0.171361   -0.930684
  H     -5.979987   -0.193685   -1.072558
  C     -4.062707   -0.205778   -2.007809
  H     -4.423595   -0.255607   -3.014572
  C     -2.705264   -0.174525   -1.764873
  H     -1.999468   -0.199189   -2.568866
  Cl     0.664168   -0.148485   -2.306507
  O      4.126238   -2.811384   -1.552764
  H      4.638195   -3.388113   -2.137786
  H      4.200278   -1.920863   -1.958952
  O      3.959874   -0.130916   -2.390188
  H      4.460814    0.220485   -3.142534
  H      3.026707   -0.070063   -2.666216
  O     -1.436260   -2.744647   -2.750550
  H     -0.614412   -2.378834   -3.116530
  H     -1.725915   -3.383402   -3.420306
