%chk=000229120.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229120

0 1
O -2.771551 -0.900767 -0.438257
O -2.728690 1.099761 0.737544
O -5.614766 1.943653 -0.699525
O -5.574161 0.115548 -1.850973
N -5.389642 0.755523 -0.834090
C -4.910626 -0.012667 0.419729
C -4.089780 -1.251208 -0.001766
C -4.037376 0.925375 1.288759
C -2.007773 -0.124674 0.501564
C -6.183913 -0.413009 1.198603
C -0.746225 0.287998 -0.244634
C 0.525470 -0.159954 0.478975
C 1.779694 0.269175 -0.294855
C 3.059903 -0.176734 0.424131
C 4.313773 0.252791 -0.349611
C 5.595296 -0.192526 0.367721
C -7.056693 -1.430221 0.475160
C 6.849022 0.237381 -0.406041
C 8.130654 -0.207950 0.310669
C 9.385525 0.221881 -0.462342
C 10.664463 -0.218951 0.246246
H -4.510189 -1.741746 -0.907854
H -4.021536 -1.976095 0.828109
H -3.951866 0.541090 2.320381
H -4.427498 1.967654 1.300606
H -1.884313 -0.682119 1.446775
H -5.888112 -0.818180 2.188715
H -6.779080 0.500367 1.420693
H -0.785241 -0.130951 -1.275846
H -0.755851 1.392941 -0.383864
H 0.522475 -1.260767 0.604711
H 0.551700 0.268801 1.500288
H 1.755101 -0.154590 -1.317906
H 1.784495 1.369072 -0.425299
H 3.085958 0.247583 1.446412
H 3.056790 -1.276329 0.553207
H 4.318146 1.352376 -0.479406
H 4.288802 -0.170561 -1.372402
H 5.592083 -1.292035 0.496847
H 5.621238 0.230980 1.390256
H -7.272100 -1.136716 -0.563356
H -6.595420 -2.423971 0.436662
H -8.025546 -1.543997 0.979122
H 6.852844 1.336928 -0.535251
H 6.823486 -0.185688 -1.428818
H 8.128810 -1.307249 0.440118
H 8.157948 0.214347 1.333479
H 9.360549 -0.201469 -1.485558
H 9.389909 1.322027 -0.590735
H 11.554055 0.092206 -0.312655
H 10.739590 0.214267 1.250067
H 10.710274 -1.308401 0.355693


%chk=000229120-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229120

0 1
O -3.180814 -0.870134 -1.065239
O -2.307880 0.364595 0.804754
O -5.016530 2.454654 0.646716
O -5.431135 1.381808 -1.313993
N -5.076388 1.396641 -0.082160
C -4.785111 0.035068 0.633396
C -4.486672 -1.054761 -0.419911
C -3.555448 0.223746 1.558602
C -2.100764 -0.788684 -0.079825
C -6.047840 -0.282237 1.486599
C -0.790496 -0.594926 -0.827047
C 0.443403 -0.599358 0.102031
C 1.759371 -0.361122 -0.671196
C 3.007582 -0.356866 0.239426
C 4.321764 -0.095063 -0.530331
C 5.572505 -0.082908 0.377151
C -7.359266 -0.454235 0.690368
C 6.884173 0.189296 -0.393639
C 8.135971 0.208695 0.512368
C 9.446521 0.482711 -0.260589
C 10.691981 0.504880 0.651883
H -5.219196 -1.036737 -1.237846
H -4.522794 -2.038364 0.099988
H -3.502139 -0.662850 2.229163
H -3.656942 1.141610 2.155612
H -2.117097 -1.715702 0.548416
H -5.832793 -1.211005 2.050627
H -6.164702 0.526680 2.233003
H -0.710608 -1.399886 -1.581815
H -0.857557 0.363704 -1.374248
H 0.504856 -1.569944 0.638451
H 0.316270 0.182990 0.874385
H 1.877711 -1.141430 -1.452235
H 1.695188 0.608250 -1.207838
H 2.883264 0.416558 1.025897
H 3.080445 -1.329959 0.769201
H 4.245990 0.876915 -1.061416
H 4.447314 -0.868796 -1.316708
H 5.652945 -1.056459 0.904950
H 5.444645 0.687809 1.166024
H -7.615013 0.453456 0.116513
H -7.305371 -1.299354 -0.018650
H -8.192377 -0.656357 1.386277
H 6.801323 1.161270 -0.923917
H 7.013943 -0.582887 -1.180928
H 8.221601 -0.763017 1.042828
H 8.007715 0.981161 1.299577
H 9.574443 -0.291047 -1.045197
H 9.358811 1.452080 -0.792740
H 11.614981 0.700704 0.075440
H 10.602368 1.291859 1.424539
H 10.817951 -0.462851 1.173483


