%chk=000116590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116590

0 1
O 1.027274 -1.073472 -0.182492
O -3.963025 0.148582 0.312248
O -3.557344 -1.996579 -0.240730
N 2.513631 0.656282 0.195080
N 0.174751 1.024396 0.375591
C 3.763621 -0.159570 -0.056729
C 4.956152 0.793199 0.137091
C 3.819823 -1.309789 0.956140
C 3.727264 -0.695672 -1.493163
C 1.238439 0.090829 0.101426
C -1.212498 0.722096 0.352204
C -2.073875 1.898976 0.679780
C -1.700271 -0.506455 0.062643
C -3.092882 -0.907429 0.014721
C -5.376931 -0.170314 0.285619
H 5.004562 1.199561 1.153045
H 5.899722 0.258413 -0.032683
H 4.939491 1.631131 -0.568054
H 2.953655 -1.982647 0.837173
H 3.809331 -0.953658 1.990684
H 4.718820 -1.918706 0.820482
H 3.649701 0.105645 -2.234170
H 4.622632 -1.280584 -1.724629
H 2.859888 -1.360514 -1.644097
H 2.642577 1.632529 0.435009
H 0.418567 1.988997 0.608132
H -1.546078 2.832195 0.893859
H -2.785765 2.092896 -0.146359
H -2.721813 1.668095 1.547982
H -1.018443 -1.346062 -0.173580
H -5.591068 -0.949102 1.024815
H -5.656798 -0.512137 -0.716179
H -5.848712 0.781569 0.542341


%chk=000116590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116590

0 1
O 1.025545 -1.219758 -0.218346
O -4.085515 0.199018 0.329132
O -3.635516 -2.018822 -0.235655
N 2.489348 0.569470 0.174295
N 0.180892 0.922016 0.348979
C 3.773396 -0.168956 -0.059805
C 4.906321 0.863205 0.159583
C 3.909619 -1.332748 0.956816
C 3.818365 -0.707927 -1.513709
C 1.228156 -0.006056 0.076872
C -1.215820 0.709537 0.349003
C -1.990332 1.972557 0.692922
C -1.775123 -0.519498 0.064392
C -3.194563 -0.868230 0.032349
C -5.517229 -0.170629 0.291006
H 4.891379 1.262793 1.191565
H 5.885569 0.381223 0.000106
H 4.825163 1.705639 -0.553656
H 3.083123 -2.050573 0.831281
H 3.893596 -0.950318 1.993653
H 4.866010 -1.862284 0.794534
H 3.747525 0.121417 -2.240810
H 4.769697 -1.243370 -1.686027
H 2.984247 -1.406185 -1.689507
H 2.577073 1.557977 0.417700
H 0.463967 1.876903 0.577231
H -1.313836 2.827672 0.880244
H -2.682833 2.239582 -0.121390
H -2.618236 1.815158 1.584537
H -1.111286 -1.354098 -0.168619
H -5.733649 -0.959835 1.031197
H -5.795520 -0.539984 -0.710795
H -6.055137 0.757805 0.534123


