%chk=000193506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193506

0 1
O 2.104496 1.308964 -0.974876
O -1.875848 1.140673 1.210585
N 1.369046 -1.414198 -0.211425
N 0.638860 -2.541045 -0.033754
N 0.658681 2.082268 0.620898
N -3.089702 -0.389386 0.040836
C 0.602716 -0.265783 -0.022631
C -0.703589 -0.714140 0.266143
C 2.820435 -1.487671 -0.521680
C -0.634347 -2.141289 0.252564
C 1.179869 1.103478 -0.190811
C 3.645322 -1.519063 0.758242
C -1.896141 0.098446 0.555076
C 1.130953 3.476194 0.502311
C -4.363542 0.317464 0.279867
H 3.006785 -2.399425 -1.137150
H 3.086194 -0.591214 -1.147064
H -1.426770 -2.845040 0.449426
H 3.507807 -0.609232 1.358118
H 4.715657 -1.594810 0.525935
H 3.383955 -2.376215 1.394132
H -0.174362 1.920523 1.217017
H -3.127360 -1.215311 -0.543964
H 0.329295 4.131370 0.121020
H 1.991039 3.548102 -0.193234
H 1.455589 3.846990 1.489217
H -4.804750 0.662898 -0.669784
H -4.199326 1.208711 0.920838
H -5.082462 -0.340961 0.794850


%chk=000193506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193506

0 1
O 2.503843 1.286134 -0.555502
O -1.891798 1.351881 0.961343
N 1.374357 -1.354960 -0.299444
N 0.588605 -2.501449 -0.261270
N 0.615746 2.185442 0.484615
N -3.121389 -0.439104 0.160937
C 0.650411 -0.196801 -0.038949
C -0.703303 -0.623889 0.147706
C 2.828311 -1.548360 -0.524989
C -0.666645 -2.046276 -0.001277
C 1.328859 1.151214 -0.062247
C 3.622070 -1.545587 0.795114
C -1.917430 0.173560 0.448084
C 1.150947 3.549652 0.505760
C -4.415435 0.185945 0.457891
H 2.912318 -2.522245 -1.033787
H 3.178143 -0.737177 -1.178917
H -1.472563 -2.771371 0.110102
H 3.564044 -0.556853 1.280389
H 4.685238 -1.757174 0.582138
H 3.244748 -2.317539 1.488685
H -0.356908 1.999259 0.826720
H -3.109350 -1.334753 -0.327262
H 0.528403 4.226789 -0.108899
H 2.173707 3.533110 0.097028
H 1.176818 3.940493 1.539556
H -4.984681 0.384283 -0.468886
H -4.216047 1.143015 0.963888
H -5.022519 -0.455941 1.122176


