%chk=000218321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218321

0 1
O 4.536209 -0.359308 0.248519
O -0.825434 -1.893290 -0.585486
O -3.847622 1.288609 0.874585
N 1.869127 0.551750 -0.201231
N -2.035203 -0.105029 0.344426
C 0.688873 0.997442 -1.012254
C 3.035913 1.476913 -0.370962
C 2.269043 -0.851808 -0.543402
C -0.318076 1.676959 -0.066811
C 4.170190 1.001753 0.552280
C 3.422887 -1.269740 0.379358
C -0.933576 0.693575 0.937710
C -1.868012 -1.328851 -0.382935
C -3.417580 0.295477 0.355291
C -3.271282 -1.722551 -0.815479
C -4.147358 -0.802425 -0.399563
H 0.964315 1.696807 -1.829065
H 0.200824 0.128262 -1.507181
H 2.717148 2.500173 -0.081822
H 3.402871 1.525684 -1.418789
H 2.573339 -0.971151 -1.604662
H 1.385961 -1.514435 -0.375859
H 0.192601 2.481572 0.502255
H -1.107250 2.178179 -0.658596
H 5.112355 1.547232 0.371795
H 3.884385 1.066898 1.616853
H 3.110982 -1.301989 1.437818
H 3.869581 -2.233589 0.080163
H -0.151325 -0.009855 1.315649
H -1.346515 1.245608 1.813292
H -3.430657 -2.633333 -1.371927
H -5.218415 -0.754939 -0.523467


%chk=000218321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218321

0 1
O 4.575506 -0.363490 0.216100
O -0.805053 -2.069139 0.087687
O -3.795975 1.545746 0.357406
N 1.843442 0.462421 -0.307084
N -2.007733 -0.025477 0.355015
C 0.672712 0.982012 -1.055905
C 2.935191 1.458526 -0.172332
C 2.366756 -0.827307 -0.829257
C -0.294759 1.757790 -0.134005
C 4.043372 0.904388 0.739198
C 3.480748 -1.344446 0.094427
C -0.957003 0.844132 0.920898
C -1.861436 -1.392237 0.004329
C -3.346546 0.395164 0.129223
C -3.216519 -1.851793 -0.480817
C -4.084022 -0.806049 -0.411145
H 0.984676 1.636515 -1.906017
H 0.139380 0.120805 -1.500473
H 2.533440 2.391234 0.267676
H 3.376027 1.714569 -1.169569
H 2.774364 -0.719734 -1.865857
H 1.539792 -1.560292 -0.846413
H 0.261024 2.550087 0.403642
H -1.073473 2.267361 -0.733052
H 4.904717 1.591636 0.783275
H 3.636249 0.747229 1.761932
H 3.057067 -1.557607 1.099409
H 3.946756 -2.256350 -0.313710
H -0.183597 0.191600 1.364005
H -1.427110 1.450754 1.714740
H -3.388976 -2.874256 -0.817272
H -5.140718 -0.763191 -0.675550


