%chk=000220490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220490

0 1
O -2.501318 5.854748 -0.027979
O -3.578377 4.717727 -1.517664
N 5.589462 0.245943 -0.206801
N -2.561313 -4.923781 -0.402629
N -2.769552 4.812758 -0.606615
C -0.019199 0.025217 1.123249
C 1.444407 0.067288 0.729965
C -0.690589 -1.258727 0.679739
C -0.752894 1.263775 0.638725
C 2.392204 -0.560569 1.553400
C -1.764072 -1.764568 1.430258
C 1.883157 0.702581 -0.439698
C -0.277452 -1.960968 -0.460441
C -0.471373 2.496354 1.260331
C -1.696808 1.213556 -0.399543
C 4.193323 0.102423 0.052384
C -1.996738 -3.649515 -0.095355
C 3.744333 -0.549802 1.225479
C -2.413752 -2.935891 1.053503
C 3.233635 0.723046 -0.780098
C -0.917534 -3.135057 -0.850178
C -1.124185 3.657305 0.858821
C -2.359226 2.368606 -0.810135
C -2.071179 3.588244 -0.177621
C 6.479261 -0.793116 0.383112
C 5.973021 0.553922 -1.612710
C -3.940190 -5.173720 0.102746
C -2.404916 -5.394367 -1.807217
H -0.062106 0.048390 2.252066
H 2.068646 -1.072714 2.460188
H -2.102376 -1.234050 2.320612
H 1.163240 1.190427 -1.098619
H 0.559988 -1.589220 -1.054168
H 0.274449 2.543752 2.055603
H -1.919602 0.262037 -0.889078
H 4.454150 -1.038224 1.889676
H -3.236235 -3.304585 1.662424
H 3.539951 1.236481 -1.688674
H -0.562978 -3.659828 -1.734379
H -0.911166 4.619773 1.336137
H -3.098854 2.336680 -1.617273
H 6.336975 -0.822387 1.478026
H 7.531818 -0.517138 0.206640
H 6.310155 -1.804005 -0.019034
H 7.058601 0.738872 -1.664182
H 5.476356 1.486847 -1.933644
H 5.719946 -0.243148 -2.328730
H -3.958893 -5.049968 1.200122
H -4.222299 -6.219150 -0.103945
H -4.702320 -4.512240 -0.337520
H -1.331877 -5.429105 -2.066600
H -2.924838 -4.767033 -2.547686
H -2.785967 -6.425274 -1.892693


%chk=000220490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220490

0 1
O -2.520021 5.961193 0.177040
O -3.550083 4.856853 -1.533094
N 5.634771 0.022847 -0.404727
N -2.887945 -4.812426 -0.560683
N -2.751142 4.893112 -0.515989
C -0.005818 -0.013030 1.055134
C 1.477649 0.035478 0.654287
C -0.722286 -1.301039 0.618572
C -0.752555 1.260915 0.624785
C 2.442355 -0.625797 1.455818
C -1.875034 -1.731726 1.324001
C 1.941147 0.689231 -0.513390
C -0.310219 -2.080875 -0.488608
C -0.537071 2.467636 1.346039
C -1.640836 1.280911 -0.481694
C 4.277326 0.023999 -0.060870
C -2.180746 -3.666851 -0.175042
C 3.807583 -0.638986 1.118814
C -2.593604 -2.880697 0.948952
C 3.303804 0.690452 -0.870328
C -1.014054 -3.236295 -0.882961
C -1.185508 3.661274 0.985719
C -2.296850 2.466842 -0.865699
C -2.061916 3.645195 -0.124262
C 6.609679 -0.654499 0.457188
C 6.086327 0.727691 -1.609538
C -4.083113 -5.222146 0.184452
C -2.432088 -5.605206 -1.707924
H -0.023181 -0.008457 2.166283
H 2.115678 -1.149648 2.363549
H -2.223456 -1.151051 2.188603
H 1.229563 1.222040 -1.155005
H 0.588083 -1.789601 -1.044915
H 0.154628 2.463788 2.196393
H -1.826264 0.354109 -1.033374
H 4.509094 -1.161626 1.775207
H -3.472464 -3.168151 1.533140
H 3.608704 1.217166 -1.778968
H -0.649284 -3.806108 -1.742366
H -1.032282 4.593734 1.535173
H -2.982519 2.497458 -1.716638
H 6.632370 -0.221207 1.478828
H 7.617065 -0.550189 0.024009
H 6.392604 -1.738291 0.553615
H 7.176909 0.613643 -1.714285
H 5.860634 1.813400 -1.564532
H 5.612867 0.321226 -2.526930
H -3.852549 -5.452700 1.245302
H -4.507442 -6.129926 -0.272913
H -4.867383 -4.437473 0.170342
H -1.406545 -6.001039 -1.556007
H -2.430410 -5.012906 -2.646448
H -3.107272 -6.463647 -1.851760


