%chk=000240011.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240011

0 1
O -4.726171 -0.654156 2.003402
O -4.063087 1.323028 2.896337
O -1.472336 0.244084 -1.189519
O -1.064612 -3.332921 1.752223
O 2.566867 2.323941 1.424983
N -2.173347 1.315859 0.702526
N -0.135102 -1.620549 0.536444
N 2.109168 0.105164 1.141161
C -2.578398 0.063395 1.373802
C -1.485290 -0.475053 2.323020
C -0.188787 -0.625131 1.575236
C -3.838193 0.369069 2.192145
C 0.856017 0.199215 1.813527
C -1.564406 1.287959 -0.555983
C -1.075467 2.616924 -1.034053
C -0.734959 -2.891768 0.665889
C -0.853053 -3.647494 -0.620233
C 0.025422 3.223462 -0.415299
C -1.706002 3.224926 -2.127516
C 2.930403 1.237722 1.006575
C 4.236522 0.976177 0.326102
C -0.487396 -5.000988 -0.634206
C -1.358322 -3.036716 -1.776643
C -5.982890 -0.583596 2.733432
C 0.492548 4.450558 -0.894765
C -1.236032 4.454676 -2.596221
C -0.138440 5.066695 -1.980450
C -0.611044 -5.739356 -1.813942
C -1.484098 -3.783067 -2.951277
C 5.423366 1.256013 1.016070
C 4.273683 0.496341 -0.989625
C -1.108216 -5.130624 -2.971379
C 6.653430 1.038178 0.388834
C 5.507233 0.285703 -1.611738
C 6.695343 0.552753 -0.922371
H -2.811647 -0.715670 0.587003
H -1.797755 -1.469387 2.735230
H -1.365102 0.183436 3.207237
H -2.189023 2.166453 1.269009
H -0.000374 -1.226221 -0.408875
H 0.788246 1.025668 2.535929
H 2.380892 -0.802149 0.765246
H 0.533363 2.746076 0.430388
H -2.553630 2.738164 -2.610497
H -0.117255 -5.471292 0.279113
H -1.661028 -1.982605 -1.765342
H -5.787860 -0.779631 3.792076
H -6.569993 -1.384477 2.270259
H -6.445229 0.399102 2.595017
H 1.352992 4.921506 -0.417219
H -1.723471 4.934629 -3.443527
H 0.226961 6.024821 -2.349237
H -0.325521 -6.789998 -1.829304
H -1.877693 -3.312310 -3.851286
H 5.383929 1.648205 2.033713
H 3.348421 0.299865 -1.531529
H -1.206552 -5.708543 -3.889808
H 7.579351 1.251515 0.921847
H 5.542507 -0.084524 -2.635658
H 7.655716 0.385445 -1.409776


%chk=000240011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240011

0 1
O -4.378463 -0.846447 2.476039
O -4.360976 1.484975 2.456180
O -1.347735 0.660165 -1.263807
O -0.195158 -3.342756 1.486044
O 3.380415 1.625250 2.272719
N -2.302615 1.526137 0.676617
N -0.168896 -1.337614 0.294129
N 2.217946 -0.024135 1.111444
C -2.588320 0.224223 1.289579
C -1.433621 -0.314226 2.218826
C -0.138381 -0.488014 1.463744
C -3.864700 0.382635 2.114633
C 1.010527 0.168335 1.792506
C -1.706744 1.669388 -0.557687
C -1.519711 3.073481 -1.061282
C -0.320612 -2.721821 0.383597
C -0.612048 -3.443677 -0.911696
C -1.516655 4.209459 -0.208962
C -1.315450 3.248641 -2.453956
C 3.383172 0.691753 1.410973
C 4.616193 0.302260 0.644669
C -0.444492 -4.852605 -0.916324
C -1.062001 -2.792452 -2.092384
C -5.587809 -0.824217 3.341310
C -1.330661 5.500625 -0.747698
C -1.135445 4.539569 -2.991011
C -1.146139 5.669865 -2.139688
C -0.702918 -5.601029 -2.082613
C -1.325198 -3.546219 -3.257840
C 5.689928 1.229936 0.628895
C 4.763672 -0.940004 -0.029040
C -1.142152 -4.948555 -3.259373
C 6.879934 0.934372 -0.065999
C 5.957981 -1.236641 -0.721078
C 7.016140 -0.298763 -0.747387
H -2.751627 -0.520193 0.488791
H -1.770208 -1.288292 2.622718
H -1.289000 0.379615 3.066861
H -2.723405 2.333703 1.148136
H -0.428451 -0.835160 -0.573383
H 1.065984 0.880081 2.619563
H 2.210751 -0.715106 0.356664
H -1.617471 4.099296 0.877266
H -1.298448 2.358720 -3.091021
H -0.118602 -5.332249 0.012651
H -1.236693 -1.710254 -2.117621
H -5.369133 -0.293946 4.282746
H -5.817054 -1.882690 3.522306
H -6.415193 -0.318018 2.817454
H -1.318340 6.370677 -0.082660
H -0.984405 4.666314 -4.068421
H -1.001739 6.673181 -2.555321
H -0.566177 -6.688051 -2.076305
H -1.678176 -3.038939 -4.162553
H 5.564386 2.170608 1.174819
H 3.976610 -1.703014 0.008610
H -1.346203 -5.527889 -4.166956
H 7.700454 1.660007 -0.076201
H 6.066168 -2.200673 -1.229746
H 7.941560 -0.531121 -1.285978


