%chk=000261970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261970

0 1
O -1.939953 2.026166 0.351398
O 1.940546 -2.048626 0.148387
O 0.803197 2.522844 0.801881
O -0.802829 -2.587751 0.544979
N -2.702757 -0.760386 0.332709
N 2.703299 0.725880 0.408989
C -6.292825 0.266946 -0.517267
C 6.293292 -0.211342 -0.539653
C -5.051638 -0.630920 -0.430031
C 5.051890 0.673116 -0.363688
C -7.458729 -0.460860 -1.199379
C 7.458738 0.580676 -1.146905
C -3.897955 0.112830 0.254694
C 3.898666 -0.135014 0.244610
C -8.702020 0.435321 -1.290207
C 8.702244 -0.301751 -1.326285
C -1.428129 -0.310288 0.431451
C 1.428645 0.268156 0.461388
C -1.005743 1.004763 0.495144
C 1.006254 -1.046646 0.392945
C 0.380261 1.397529 0.602046
C -0.379809 -1.448098 0.459066
C -9.865997 -0.283481 -1.968207
C 9.865762 0.480899 -1.930343
C -2.089420 2.860436 1.535646
C 2.089358 -2.996999 1.243482
H -6.596127 0.595172 0.496067
H -6.050238 1.192818 -1.075994
H 6.597066 -0.638009 0.436178
H 6.050753 -1.077540 -1.187063
H -4.748199 -0.951182 -1.447740
H -5.299048 -1.560332 0.120067
H 4.747951 1.092265 -1.344664
H 5.299251 1.543716 0.275443
H -7.159448 -0.788637 -2.213898
H -7.704872 -1.387269 -0.645494
H 7.158982 1.007013 -2.123961
H 7.704831 1.447889 -0.504265
H -4.182257 0.435575 1.282637
H -3.639489 1.052303 -0.303405
H 4.183464 -0.557658 1.235525
H 3.640255 -1.014797 -0.403545
H -8.459310 1.361110 -1.848234
H -9.005456 0.763802 -0.276819
H 8.459578 -1.167941 -1.972983
H 9.006156 -0.728672 -0.350425
H -2.855977 -1.775743 0.301499
H 2.856452 1.739270 0.479733
H -10.748771 0.363114 -2.029371
H -10.158847 -1.186316 -1.420240
H -9.612888 -0.588602 -2.990108
H 10.748691 -0.156210 -2.055420
H 10.158570 1.325254 -1.295941
H 9.612176 0.885434 -2.916999
H -2.402230 2.258160 2.388880
H -1.145443 3.382750 1.734830
H -2.866626 3.563631 1.222756
H 2.401789 -2.482964 2.152740
H 1.145245 -3.536475 1.389047
H 2.866668 -3.665531 0.862318


%chk=000261970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261970

0 1
O -1.866061 2.202508 0.119447
O 1.802118 -2.272865 0.003237
O 1.000396 2.499943 -0.077423
O -1.066506 -2.578868 0.197085
N -2.757826 -0.602083 0.291180
N 2.693563 0.515183 -0.078066
C -6.486845 0.207490 -0.261911
C 6.445674 -0.221158 -0.529155
C -5.136140 -0.527830 -0.409515
C 5.129156 0.586069 -0.488593
C -7.635440 -0.481533 -1.032598
C 7.674156 0.642559 -0.892538
C -4.004513 0.177554 0.368015
C 3.921664 -0.298134 -0.121342
C -8.993866 0.238859 -0.873218
C 8.992129 -0.164229 -0.937928
C -1.462571 -0.195569 0.223688
C 1.397914 0.122566 0.034892
C -0.961020 1.114391 0.172042
C 0.901608 -1.186193 0.114494
C 0.454365 1.334627 0.035105
C -0.518405 -1.409661 0.171788
C -10.136589 -0.455241 -1.645459
C 10.216383 0.704258 -1.299224
C -1.614961 3.310120 1.070628
C 1.692565 -3.319714 1.044134
H -6.755625 0.272250 0.813393
H -6.379366 1.252016 -0.620655
H 6.615011 -0.700677 0.457563
H 6.347994 -1.046358 -1.264587
H -4.856650 -0.593327 -1.479243
H -5.247440 -1.570651 -0.043654
H 4.952595 1.057513 -1.476463
H 5.226622 1.409973 0.248727
H -7.374878 -0.536535 -2.110017
H -7.735650 -1.530483 -0.683126
H 7.507007 1.124560 -1.878347
H 7.776224 1.467173 -0.156395
H -4.306141 0.287207 1.432590
H -3.812445 1.187642 -0.022787
H 4.090611 -0.777030 0.864646
H 3.793687 -1.116818 -0.849485
H -8.893762 1.287140 -1.221547
H -9.253319 0.292628 0.203945
H 8.889816 -0.986843 -1.674840
H 9.157520 -0.647728 0.046656
H -2.825819 -1.637001 0.303176
H 2.775501 1.546441 -0.134422
H -11.096840 0.076083 -1.512286
H -10.275151 -1.496316 -1.297362
H -9.917860 -0.491258 -2.729419
H 11.145180 0.105280 -1.323808
H 10.357502 1.516830 -0.561622
H 10.090134 1.173089 -2.293385
H -1.623105 2.937119 2.113868
H -0.649563 3.791364 0.846524
H -2.448121 4.013246 0.915272
H 1.843780 -2.884710 2.052313
H 0.708661 -3.812831 0.987150
H 2.499940 -4.033239 0.816863


