ATOMS Zn -0.678158 0.235396 0.071328 O -2.626921 0.812496 0.467038 N -1.544985 -1.532490 -0.866604 C -3.749588 0.207706 0.254926 O 0.012664 2.171986 -0.151172 N 0.711807 -0.318346 -1.479079 C -4.961334 0.851487 0.719992 C -6.196132 0.261082 0.511982 C -6.337442 -0.972332 -0.166351 C -5.202201 -1.605469 -0.629222 C -3.902300 -1.063350 -0.431468 C -2.813495 -1.816825 -0.971090 C -0.553532 -2.345111 -1.428377 C -0.668079 -3.728386 -1.638980 C 0.400691 -4.456994 -2.160694 C 1.610113 -3.814461 -2.455748 C 1.747022 -2.444388 -2.237746 C 0.671041 -1.690467 -1.745223 C 1.485623 0.487258 -2.151921 C 1.612198 1.900146 -1.971560 C 2.513332 2.566071 -2.846623 C 2.713391 3.930285 -2.790595 C 1.993574 4.681863 -1.833603 C 1.096138 4.094164 -0.957543 C 0.866549 2.666136 -0.991341 C -4.811514 2.169316 1.430230 C 0.327038 4.893743 0.059204 O 0.021881 -0.379815 1.852219 C 0.162464 0.578261 2.895361 C 1.596398 0.761019 2.628902 H -0.416268 1.507078 2.721068 H 1.898043 1.377763 1.786019 H 3.058263 1.961061 -3.576660 H 2.146564 5.764262 -1.780178 H 2.091078 0.070191 -2.974169 H 2.709697 -1.958454 -2.392604 H 2.463793 -4.391952 -2.812501 H 0.305826 -5.535494 -2.295955 H -1.587740 -4.239199 -1.351827 H -3.111062 -2.707922 -1.551166 H -5.283804 -2.557711 -1.161554 H -7.090612 0.770829 0.883433 H 3.412484 4.421449 -3.467659 H -7.324294 -1.409513 -0.319894 H -4.175705 2.063216 2.322024 H -4.303351 2.903187 0.787125 H -5.789170 2.569738 1.732240 H 0.567980 4.565539 1.081787 H 0.548873 5.966094 -0.030704 H -0.755097 4.735698 -0.058345 I 3.573106 -1.268647 1.506533 C -0.193256 -0.009738 4.255202 H 0.030057 0.707333 5.063006 H -1.263776 -0.254930 4.289533 H 0.382226 -0.931407 4.423072 H 2.364059 0.427278 3.321410 END CHARGE -1 0 RELATIVISTIC ZORA AnalyticalFreq END XC GGA BP86 END BASIS TYPE TZP end INTEGRATION 6 SCF iterations 300 END endinput