%chk=000218181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218181

0 1
O -3.586127 1.690222 0.439532
O -4.074380 -1.038250 -0.379577
O 3.782697 1.191466 0.324764
N 1.190710 0.590896 0.146350
N 0.801992 -1.621920 -0.421935
N 3.135530 -0.928379 -0.219370
C -0.206207 0.423562 0.085891
C -0.431774 -0.958191 -0.267290
C 1.743480 -0.675654 -0.170247
C -1.261800 1.324487 0.287755
C -1.742430 -1.451900 -0.390638
C -2.547216 0.816062 0.149948
C -2.783043 -0.559991 -0.177245
C 4.121011 0.058281 0.041125
C 5.539519 -0.453379 -0.071330
C 6.539543 0.665952 0.190221
C -4.503115 1.917438 -0.667397
C -4.870613 -1.091731 0.837232
H 1.710449 1.435328 0.365849
H -1.097148 2.367520 0.542775
H -1.929235 -2.494303 -0.645842
H 3.384146 -1.893814 -0.462521
H 5.703607 -1.283504 0.650393
H 5.713423 -0.887343 -1.080202
H 6.422467 1.488447 -0.529593
H 7.571349 0.302775 0.121954
H 6.401156 1.105450 1.188495
H -3.984862 2.474226 -1.452459
H -5.285376 2.522141 -0.197190
H -4.897576 0.966987 -1.046755
H -5.847056 -1.412863 0.460236
H -4.921499 -0.101836 1.304852
H -4.443420 -1.832883 1.517919


%chk=000218181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218181

0 1
O -3.661197 1.648881 0.518181
O -4.096911 -1.013201 -0.513347
O 3.794631 1.196043 0.727316
N 1.193286 0.551221 0.340694
N 0.852502 -1.562789 -0.494104
N 3.134856 -0.872979 -0.110324
C -0.197665 0.411100 0.213667
C -0.392827 -0.916858 -0.307957
C 1.750957 -0.646963 -0.093624
C -1.271011 1.281231 0.480288
C -1.701215 -1.395130 -0.541227
C -2.569096 0.795981 0.225358
C -2.782745 -0.540896 -0.260252
C 4.106743 0.035682 0.304760
C 5.548267 -0.461519 0.241504
C 6.509608 0.628359 -0.282523
C -4.464076 2.047414 -0.662391
C -4.912642 -1.212502 0.706897
H 1.772884 1.331864 0.667946
H -1.146330 2.298737 0.860440
H -1.886679 -2.403180 -0.920188
H 3.405183 -1.796275 -0.456744
H 5.844086 -0.741349 1.272423
H 5.622672 -1.378959 -0.372750
H 6.305107 0.867299 -1.341014
H 7.557617 0.291999 -0.199375
H 6.386825 1.553328 0.304926
H -3.842518 2.639345 -1.361232
H -5.278986 2.671724 -0.264846
H -4.869819 1.159023 -1.178249
H -5.895952 -1.556580 0.350766
H -5.014086 -0.267347 1.270598
H -4.453266 -1.987404 1.350080


