%chk=000268389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268389

0 1
O -5.820503 1.588775 -0.048055
O 5.807873 -1.604454 -0.340456
N -1.371438 -0.379692 -0.457740
N 1.358731 0.363967 0.068902
N -2.657303 -0.821706 -0.309196
N 2.644584 0.806002 -0.079532
C -1.018144 1.038372 -0.095812
C -0.422408 -1.350935 0.195109
C 0.409694 1.335167 -0.584009
C 1.005466 -1.054118 -0.292975
C -3.688803 -0.021795 -0.367384
C 3.676110 0.006106 -0.021525
C -5.042613 -0.595458 -0.378281
C 5.029905 0.579794 -0.010509
C -6.163642 0.266273 -0.211314
C 6.150977 -0.281937 -0.177242
C -5.290051 -1.961317 -0.551568
C 5.277301 1.945670 0.162686
C -7.473635 -0.222655 -0.216314
C 7.460961 0.207000 -0.172039
C -6.598984 -2.461784 -0.558252
C 6.586230 2.446156 0.169515
C -7.679507 -1.596791 -0.391421
C 7.666788 1.581161 0.002968
C -6.895602 2.570109 0.112785
C 6.882987 -2.585749 -0.501414
C -6.146326 3.881026 0.248264
C 6.133746 -3.896701 -0.636767
H -1.725565 1.731776 -0.600582
H -1.097909 1.219664 0.998859
H -0.470809 -1.295378 1.305141
H -0.714247 -2.384951 -0.097858
H 0.701552 2.369211 -0.291184
H 0.458047 1.279477 -1.694036
H 1.085338 -1.235482 -1.387626
H 1.712851 -1.747484 0.211910
H -3.660004 1.078963 -0.409001
H 3.647329 -1.094660 0.019877
H -4.445118 -2.642798 -0.683634
H 4.432344 2.627156 0.294570
H -8.325933 0.434241 -0.087759
H 8.313295 -0.449899 -0.300329
H -6.766372 -3.527222 -0.694701
H 6.753576 3.511617 0.305847
H -8.696903 -1.987103 -0.396712
H 8.684182 1.971477 0.008406
H -7.470467 2.309758 1.018007
H -7.537615 2.533872 -0.783889
H 7.525125 -2.549495 0.395172
H 7.457716 -2.325375 -1.406714
H -5.455381 3.858419 1.102745
H -6.835230 4.721338 0.391119
H -5.537807 4.087310 -0.643146
H 6.822674 -4.737002 -0.779571
H 5.525267 -4.102927 0.254686
H 5.442771 -3.874189 -1.491223


%chk=000268389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268389

0 1
O -5.890233 1.665702 -0.045525
O 5.877560 -1.681386 -0.343160
N -1.377278 -0.368257 -0.341559
N 1.364603 0.352567 -0.047127
N -2.674745 -0.851879 -0.320579
N 2.662069 0.836190 -0.068105
C -1.031837 1.031226 0.001446
C -0.396543 -1.371854 0.116065
C 0.383867 1.356164 -0.504752
C 1.019162 -1.046916 -0.390133
C -3.714280 -0.033687 -0.257738
C 3.701605 0.017999 -0.130945
C -5.076060 -0.580459 -0.315423
C 5.063384 0.564772 -0.073255
C -6.200099 0.300138 -0.204157
C 6.187425 -0.315823 -0.184522
C -5.332407 -1.969036 -0.478310
C 5.319729 1.953349 0.089639
C -7.522857 -0.200370 -0.253221
C 7.510182 0.184686 -0.135452
C -6.647234 -2.473580 -0.526722
C 6.634556 2.457894 0.138057
C -7.743596 -1.587191 -0.413861
C 7.730920 1.571506 0.025194
C -7.005137 2.622358 0.077355
C 6.992464 -2.638040 -0.466057
C -6.384177 4.007869 0.237477
C 6.371506 -4.023550 -0.626187
H -1.739114 1.717448 -0.496341
H -1.104240 1.194205 1.100959
H -0.379995 -1.416518 1.228377
H -0.728180 -2.352402 -0.262028
H 0.715504 2.336713 -0.126660
H 0.367320 1.400827 -1.617064
H 1.091564 -1.209894 -1.489646
H 1.726438 -1.733137 0.107654
H -3.637419 1.058828 -0.163716
H 3.624745 -1.074516 -0.224970
H -4.467761 -2.634262 -0.566479
H 4.455083 2.618574 0.177809
H -8.379961 0.473504 -0.167191
H 8.367287 -0.489188 -0.221482
H -6.819068 -3.547919 -0.652892
H 6.806389 3.532232 0.264232
H -8.770051 -1.968881 -0.451090
H 8.757374 1.953197 0.062428
H -7.625273 2.355696 0.957944
H -7.640165 2.569838 -0.831081
H 7.627500 -2.585527 0.442374
H 7.612593 -2.371368 -1.346649
H -5.747380 4.047876 1.137850
H -7.177937 4.770551 0.336221
H -5.764281 4.260925 -0.639747
H 7.165266 -4.786230 -0.724940
H 5.751614 -4.276613 0.251039
H 5.734703 -4.063552 -1.526557


