%chk=000295710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295710

0 1
S 4.489619 -1.232930 -0.059310
O -1.744789 0.995652 -0.629584
O -2.498711 -1.004833 -1.364285
N 2.448618 0.494778 0.261422
N 2.319001 -1.131516 -1.545032
N 0.758273 2.103370 0.584768
C -3.371818 -0.018292 0.713434
C -4.717388 -0.737279 0.546152
C -0.768019 1.047424 -1.720422
C 0.524806 0.476176 -1.254655
C -2.540633 -0.135915 -0.529999
C -5.523707 -0.716567 1.839403
C 1.225593 1.013060 -0.132929
C 1.116381 -0.618194 -1.909373
C 2.935217 -0.536075 -0.475808
C 5.049126 -0.248349 1.340137
H -2.801868 -0.455814 1.563120
H -3.527013 1.048689 0.980967
H -5.297163 -0.264023 -0.271984
H -4.541385 -1.784928 0.220154
H -0.713991 2.135459 -1.919290
H -1.182835 0.518136 -2.600314
H -6.487919 -1.223864 1.707599
H -4.999879 -1.227396 2.656007
H -5.737949 0.305431 2.172700
H 0.620266 -1.108973 -2.759388
H -0.231408 2.314209 0.550125
H 1.235642 2.357169 1.439408
H 6.037026 -0.620928 1.638720
H 4.365341 -0.325796 2.195892
H 5.133066 0.817020 1.085465


%chk=000295710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295710

0 1
S 4.657367 -1.226155 -0.155381
O -1.749670 1.105060 -0.622115
O -2.615707 -0.919460 -1.399606
N 2.510563 0.439882 0.248729
N 2.403124 -1.148670 -1.601330
N 0.741997 1.908845 0.709946
C -3.515776 0.103325 0.671348
C -4.776043 -0.783230 0.579195
C -0.708074 1.066799 -1.719561
C 0.568774 0.434620 -1.245132
C -2.622384 -0.003101 -0.552053
C -5.607722 -0.735967 1.877438
C 1.275164 0.927969 -0.094598
C 1.184746 -0.628640 -1.935451
C 3.011402 -0.555134 -0.529806
C 5.127916 -0.188189 1.339655
H -2.906961 -0.198748 1.549205
H -3.777463 1.165407 0.832241
H -5.393297 -0.452285 -0.277625
H -4.470206 -1.821303 0.355249
H -0.580252 2.135978 -1.963423
H -1.127901 0.522905 -2.582013
H -6.510262 -1.367112 1.791188
H -5.022588 -1.103469 2.741636
H -5.938741 0.294314 2.108149
H 0.689863 -1.087041 -2.799918
H -0.249698 2.136622 0.640059
H 1.291556 2.223035 1.507823
H 6.128949 -0.539104 1.636322
H 4.401116 -0.347685 2.148332
H 5.151710 0.875433 1.064599


