%chk=000275976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275976

0 1
O 1.465485 0.747007 0.565341
O 4.506613 -2.505795 -0.501928
O 3.704665 2.038726 -1.145348
O 5.206100 2.419108 1.368083
N 2.516482 -0.661940 -0.904390
C -6.183095 0.137786 0.241972
C -4.988716 -0.441005 -0.528643
C -7.516499 -0.345998 -0.343815
C -3.656451 0.043762 0.058555
C -8.710377 0.233205 0.427221
C -2.460825 -0.534326 -0.710976
C -10.044309 -0.250112 -0.157866
C -1.135000 -0.045320 -0.117963
C -11.237605 0.329264 0.613495
C 0.066235 -0.620488 -0.880801
C -12.572943 -0.153315 0.029604
C 1.361548 -0.090355 -0.304820
C -13.764125 0.420444 0.793865
C 3.825449 -0.277185 -0.519368
C 4.822380 -1.182647 -0.302453
C 6.186864 -0.795891 0.098198
C 6.405127 0.520165 0.559321
C 4.153889 1.185360 -0.433521
C 5.266294 1.489207 0.610939
C 7.255832 -1.698520 0.054152
C 7.677151 0.913404 0.984258
C 8.530691 -1.293985 0.467227
C 8.742176 0.006030 0.932845
H -6.143000 1.244165 0.222623
H -6.115883 -0.146520 1.309882
H -5.056295 -0.154924 -1.596034
H -5.029340 -1.547062 -0.509243
H -7.557154 -1.452077 -0.324359
H -7.584237 -0.060538 -1.411309
H -3.590084 -0.239465 1.127063
H -3.616824 1.150590 0.039372
H -8.642833 -0.051336 1.494986
H -8.670013 1.339454 0.407769
H -2.528387 -0.246563 -1.778146
H -2.501936 -1.640365 -0.691686
H -10.084888 -1.356207 -0.138389
H -10.112095 0.035210 -1.225374
H -1.063609 -0.320462 0.953875
H -1.087478 1.064022 -0.133759
H -11.198452 1.435364 0.594768
H -11.171128 0.045369 1.681314
H 0.040373 -1.728062 -0.846385
H -0.001320 -0.344266 -1.955342
H -12.614290 -1.259922 0.049611
H -12.641686 0.132460 -1.038273
H -13.774414 1.515865 0.761609
H -13.747012 0.124632 1.848960
H -14.712145 0.070820 0.370312
H 2.456408 -1.504043 -1.476332
H 7.100457 -2.715663 -0.307009
H 7.829754 1.930660 1.358050
H 9.361498 -2.000077 0.425348
H 9.735359 0.316293 1.258993
H 5.271116 -3.104139 -0.287780


%chk=000275976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275976

0 1
O 1.532647 1.158706 0.464045
O 4.349783 -2.462883 -0.023111
O 3.660953 2.040741 -1.347069
O 6.050774 2.825238 -0.041413
N 2.573496 -0.559416 -0.730348
C -6.239242 -0.014293 0.347320
C -5.007483 -0.301095 -0.540449
C -7.582963 -0.250960 -0.378359
C -3.661420 -0.054894 0.177469
C -8.818118 0.053988 0.498628
C -2.434061 -0.321783 -0.722590
C -10.159642 -0.177087 -0.233185
C -1.091400 -0.044330 -0.012391
C -11.397357 0.139176 0.636215
C 0.124408 -0.313124 -0.923819
C -12.737203 -0.087825 -0.100822
C 1.441481 0.178103 -0.319348
C -13.969522 0.233775 0.772071
C 3.901325 -0.184860 -0.438950
C 4.830122 -1.147916 -0.075833
C 6.244993 -0.853266 0.202485
C 6.679436 0.509104 0.228324
C 4.338399 1.209246 -0.683738
C 5.735140 1.609041 -0.136045
C 7.188240 -1.872785 0.493979
C 8.014076 0.824698 0.566472
C 8.521137 -1.547316 0.830153
C 8.938146 -0.197026 0.874149
H -6.196091 1.036245 0.703735
H -6.195044 -0.651729 1.255330
H -5.057016 0.334627 -1.449452
H -5.047852 -1.352701 -0.895018
H -7.631246 -1.304451 -0.726000
H -7.619524 0.378705 -1.292233
H -3.603209 -0.697482 1.080857
H -3.625655 0.993493 0.539812
H -8.785271 -0.576635 1.411917
H -8.768258 1.106909 0.847297
H -2.503957 0.314032 -1.630381
H -2.462634 -1.374162 -1.077066
H -10.212744 -1.231844 -0.576278
H -10.187568 0.448570 -1.150166
H -1.014444 -0.666105 0.901901
H -1.047343 1.008303 0.323608
H -11.344641 1.193366 0.980807
H -11.373883 -0.487633 1.552514
H 0.189415 -1.388733 -1.186574
H -0.010599 0.231337 -1.881812
H -12.789728 -1.141564 -0.443663
H -12.758110 0.537554 -1.016880
H -13.955433 1.289435 1.103497
H -13.989726 -0.400621 1.678544
H -14.913195 0.065340 0.220940
H 2.423084 -1.495209 -1.115284
H 6.916829 -2.936062 0.452919
H 8.303867 1.880544 0.576191
H 9.233594 -2.348656 1.052004
H 9.971172 0.051818 1.136008
H 5.002560 -3.087852 0.377386


