%chk=000266007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266007

0 1
O -3.069366 -0.781603 1.887617
O -3.689598 1.275629 2.602828
O 3.682077 -0.273475 -0.253172
N -2.581940 0.970312 0.508234
N -2.454325 -1.382772 0.740999
C -1.969667 -0.236067 -0.141973
C -0.461651 -0.232734 -0.112907
C -2.495199 2.296138 -0.029394
C -3.168049 0.618275 1.743335
C -3.411416 -2.271103 0.096213
C 0.246986 -0.399287 -1.319216
C 0.238193 -0.093373 1.092440
C 1.633569 -0.406958 -1.326169
C 1.635456 -0.095980 1.112045
C -3.073579 3.372003 0.672542
C -1.854999 2.513692 -1.263430
C 2.321128 -0.251059 -0.099847
C -2.956998 -2.987269 -1.026640
C -4.690452 -2.501683 0.625618
C -3.011012 4.654260 0.128785
C -1.805613 3.808166 -1.787121
C -3.800719 -3.929545 -1.617610
C -5.520063 -3.447460 0.019554
C -2.381177 4.879837 -1.100343
C -5.081187 -4.158459 -1.102060
C 4.514609 -0.129127 0.945820
C 5.916577 -0.201875 0.408742
C 6.567893 -1.440324 0.312414
C 6.573549 0.968369 0.001075
C 7.876337 -1.503185 -0.174708
C 7.881943 0.899284 -0.485319
C 8.534941 -0.334663 -0.571180
H -2.363038 -0.322865 -1.192695
H -0.292181 -0.526021 -2.258936
H -0.312748 0.011455 2.030898
H 2.204857 -0.531265 -2.243808
H 2.158670 0.016018 2.055603
H -3.567480 3.214597 1.636118
H -1.386059 1.701971 -1.811319
H -1.951223 -2.831881 -1.413772
H -5.023818 -1.953707 1.509132
H -3.459020 5.487608 0.671360
H -1.308847 3.978599 -2.742488
H -3.455527 -4.492321 -2.484683
H -6.514533 -3.630889 0.426624
H -2.338415 5.883526 -1.516163
H -5.733091 -4.893484 -1.570446
H 4.274350 -0.954861 1.639281
H 4.282646 0.842782 1.416924
H 6.053327 -2.353519 0.608577
H 6.063265 1.929122 0.055012
H 8.381894 -2.464880 -0.248407
H 8.391875 1.808252 -0.800886
H 9.554550 -0.386003 -0.949798


%chk=000266007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266007

0 1
O -2.666192 -1.118549 1.918815
O -3.351200 0.935173 2.817951
O 3.919905 -0.394891 -0.351256
N -2.483041 0.733054 0.584737
N -2.374587 -1.599150 0.534877
C -1.831723 -0.375307 -0.168375
C -0.310835 -0.320862 -0.169385
C -2.594113 2.062830 0.065610
C -2.897991 0.307460 1.844616
C -3.540794 -2.236301 -0.042783
C 0.391036 -0.858250 -1.279257
C 0.428222 0.214161 0.907761
C 1.794660 -0.870514 -1.311147
C 1.839188 0.209441 0.894862
C -3.327663 3.061698 0.760949
C -1.978409 2.381103 -1.174601
C 2.527175 -0.337178 -0.218993
C -3.461816 -2.662005 -1.396375
C -4.692473 -2.536156 0.726132
C -3.442502 4.353546 0.207180
C -2.106154 3.678053 -1.714163
C -4.547225 -3.345691 -1.981200
C -5.767587 -3.228563 0.126847
C -2.839247 4.673242 -1.030702
C -5.709172 -3.630826 -1.226494
C 4.737577 0.141261 0.773267
C 6.192178 -0.044073 0.415001
C 6.848761 -1.269338 0.692610
C 6.916549 0.999860 -0.212046
C 8.205852 -1.449904 0.346093
C 8.274671 0.823587 -0.558976
C 8.921916 -0.402537 -0.279907
H -2.211156 -0.397285 -1.206072
H -0.165348 -1.277362 -2.127698
H -0.091454 0.646343 1.769746
H 2.347286 -1.281330 -2.161148
H 2.382258 0.631598 1.744862
H -3.791908 2.829043 1.721364
H -1.380115 1.639222 -1.710868
H -2.548044 -2.496389 -1.978129
H -4.737235 -2.235081 1.775142
H -4.012228 5.114320 0.752110
H -1.623845 3.908343 -2.670472
H -4.476610 -3.668551 -3.025852
H -6.656786 -3.451607 0.726863
H -2.935323 5.679149 -1.452433
H -6.547919 -4.166492 -1.682985
H 4.474138 -0.413390 1.696162
H 4.491213 1.212619 0.914086
H 6.293527 -2.082948 1.174724
H 6.414213 1.949351 -0.433411
H 8.704303 -2.400639 0.564776
H 8.825909 1.637332 -1.042892
H 9.975859 -0.540419 -0.546225


