%chk=000282247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282247

0 1
S 2.812863 1.192889 0.490387
O 3.725348 1.513459 1.573767
O 2.717755 2.094782 -0.630176
N 0.241774 0.769646 0.523571
N 1.283604 1.148869 1.330337
C -3.072391 0.985227 1.405579
C -2.255932 0.516924 0.150043
C -1.750328 1.486232 2.065198
C -0.982534 0.918155 0.889190
C -4.134330 2.042292 1.140656
C -2.390268 -0.950303 -0.230508
C -5.460275 1.434697 0.658318
C -3.617533 -1.214633 -1.114364
C -5.345869 0.642320 -0.653024
C -4.953823 -0.833723 -0.458645
C 3.066166 -0.416507 -0.045521
C 2.396596 -0.898687 -1.176301
C 3.951321 -1.250583 0.649464
C 2.614228 -2.204894 -1.616330
C 4.173370 -2.555944 0.214738
C 3.505824 -3.042121 -0.924308
C 3.731379 -4.443364 -1.384425
H -3.508805 0.134451 1.963007
H -2.423801 1.163340 -0.736921
H -1.520837 1.029604 3.034453
H -1.669738 2.574235 2.176305
H -3.768327 2.781513 0.401290
H -4.317562 2.619407 2.069487
H -2.432239 -1.582197 0.677739
H -1.473116 -1.269097 -0.768568
H -6.191948 2.255961 0.519170
H -5.887881 0.791579 1.451849
H -3.637736 -2.292269 -1.373446
H -3.505323 -0.682584 -2.079230
H -4.626591 1.145839 -1.327541
H -6.317888 0.688034 -1.181981
H -4.920718 -1.084119 0.619157
H -5.752401 -1.474832 -0.880377
H 1.115290 1.726683 2.165927
H 1.698131 -0.250520 -1.718967
H 4.475886 -0.873381 1.536273
H 2.091591 -2.572933 -2.496750
H 4.863645 -3.198230 0.757767
H 3.012819 -5.128634 -0.907595
H 3.608473 -4.554751 -2.470869
H 4.737227 -4.811135 -1.137626


%chk=000282247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282247

0 1
S 2.868035 1.209119 0.262942
O 3.894041 1.728516 1.414919
O 2.653109 2.034177 -1.122844
N 0.161834 0.726505 0.393965
N 1.220218 1.015060 1.254144
C -3.093164 1.018055 1.457565
C -2.379087 0.662628 0.084258
C -1.728862 1.587396 2.015137
C -1.056262 1.002514 0.767495
C -4.289267 1.977850 1.436106
C -2.538311 -0.742881 -0.518816
C -5.635662 1.348792 0.999293
C -3.838467 -0.959785 -1.329084
C -5.679534 0.725342 -0.424064
C -5.173716 -0.749601 -0.562371
C 3.229022 -0.579883 -0.162851
C 2.833061 -1.052369 -1.422983
C 3.911411 -1.359949 0.783233
C 3.139852 -2.393238 -1.742667
C 4.206759 -2.696285 0.436609
C 3.820917 -3.232365 -0.821218
C 4.117326 -4.680157 -1.167079
H -3.358737 0.085974 1.992249
H -2.619873 1.426339 -0.685641
H -1.387087 1.194503 2.989748
H -1.707053 2.694829 2.054352
H -4.051338 2.834890 0.770543
H -4.419613 2.403003 2.453368
H -2.479118 -1.491906 0.297619
H -1.668373 -0.933008 -1.178365
H -6.405226 2.144884 1.058686
H -5.936661 0.576988 1.738215
H -3.816444 -1.998739 -1.716243
H -3.830457 -0.300181 -2.222050
H -5.123699 1.378661 -1.127314
H -6.733639 0.756949 -0.762476
H -5.095239 -1.213079 0.442543
H -5.952625 -1.329136 -1.095550
H 1.152343 1.886779 1.828764
H 2.321942 -0.389240 -2.127318
H 4.216497 -0.930018 1.742518
H 2.847033 -2.791722 -2.720827
H 4.745965 -3.328795 1.151000
H 3.281654 -5.336482 -0.855554
H 4.255202 -4.818225 -2.253433
H 5.026389 -5.042014 -0.656325


