%chk=000213164.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213164

0 1
O 1.657597 1.444020 0.676205
O -1.364575 2.460613 -0.940515
O 2.430255 0.113983 2.380288
O -2.979475 1.702037 -2.394239
N 3.872886 1.018107 0.756839
N -3.257277 3.663991 -1.167662
C -0.482786 0.443612 0.099420
C 0.291825 1.278918 1.152795
C 0.269509 -0.868687 -0.114538
C -1.910017 0.144278 0.553263
C -0.551308 1.278948 -1.205453
C 1.043473 -1.114436 -1.256146
C -2.484315 0.742247 1.682082
C 0.205909 -1.849585 0.891633
C -2.679244 -0.752318 -0.210866
C 1.732068 -2.325253 -1.395325
C -3.802307 0.441850 2.046637
C 0.896757 -3.053779 0.751366
C -3.993793 -1.045802 0.152723
C 1.661212 -3.297014 -0.395369
C -4.559749 -0.450503 1.285994
C 2.645725 0.743331 1.367450
C -2.601248 2.509048 -1.572598
C 4.986315 0.061111 0.992883
C 4.944962 -1.159395 0.061053
C 5.284240 -0.816793 -1.385386
H -0.077540 2.320833 1.200913
H 0.292669 0.804455 2.152508
H -0.972559 0.708381 -2.054529
H 0.432059 1.717533 -1.462723
H 1.129647 -0.374868 -2.049029
H -1.925965 1.447719 2.293453
H -0.382175 -1.668053 1.792545
H -2.249221 -1.219314 -1.098100
H 2.325365 -2.506693 -2.290031
H -4.235279 0.907863 2.930270
H 0.842641 -3.803725 1.539602
H -4.580803 -1.737479 -0.450361
H 2.195481 -4.238201 -0.505734
H -5.583904 -0.682473 1.570535
H 3.844451 1.436194 -0.175402
H 5.935202 0.629380 0.864465
H 4.948644 -0.272225 2.058451
H 3.943707 -1.639872 0.111883
H 5.654613 -1.921680 0.442093
H -2.912572 4.195372 -0.383210
H -4.237870 3.761946 -1.388381
H 4.534704 -0.156965 -1.836089
H 6.257933 -0.320167 -1.469594
H 5.327633 -1.722291 -2.003270


%chk=000213164-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213164

0 1
O 1.623061 1.389860 0.545856
O -1.460301 2.481307 -0.900215
O 2.565349 0.200356 2.367828
O -3.016393 2.020608 -2.623538
N 3.854452 0.964948 0.558137
N -3.239931 3.860777 -1.184602
C -0.579780 0.377861 0.052102
C 0.267217 1.171389 1.091076
C 0.151734 -0.950561 -0.265339
C -1.999235 0.092532 0.601444
C -0.710874 1.249352 -1.230003
C 0.823502 -1.188716 -1.490987
C -2.490743 0.653736 1.806718
C 0.188897 -1.965404 0.727071
C -2.864179 -0.749358 -0.146808
C 1.504439 -2.407406 -1.720926
C -3.803120 0.374512 2.255477
C 0.871996 -3.178058 0.504849
C -4.174602 -1.024348 0.292941
C 1.533832 -3.407116 -0.724447
C -4.651909 -0.463947 1.501151
C 2.688607 0.781770 1.259698
C -2.625758 2.724581 -1.660685
C 5.130944 0.393202 1.016362
C 5.411924 -1.021286 0.452634
C 5.545088 -1.055495 -1.084482
H -0.160115 2.175038 1.249584
H 0.356294 0.630103 2.049046
H -1.243003 0.718803 -2.038413
H 0.282576 1.582062 -1.573146
H 0.823837 -0.433890 -2.283621
H -1.861488 1.311191 2.414871
H -0.326858 -1.804342 1.680642
H -2.504369 -1.199877 -1.079174
H 2.009841 -2.573194 -2.679507
H -4.159071 0.814048 3.194415
H 0.888414 -3.943074 1.289046
H -4.822520 -1.674883 -0.305006
H 2.061235 -4.351107 -0.902082
H -5.668802 -0.679390 1.847880
H 3.787812 1.419266 -0.352530
H 5.944149 1.085712 0.725166
H 5.093765 0.352374 2.118821
H 4.599137 -1.698352 0.777062
H 6.346586 -1.392525 0.918711
H -2.863818 4.349215 -0.376100
H -4.098196 4.172109 -1.629325
H 4.601090 -0.748147 -1.571809
H 6.352160 -0.382848 -1.434222
H 5.780627 -2.075186 -1.438822


