%chk=000269306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269306

0 1
O -1.482269 2.768620 2.481208
O 5.843577 -1.825490 -1.186797
O -3.949037 -5.557653 0.496517
O 4.896919 -1.260681 -3.130380
O -2.651003 -5.516653 -1.320311
N 0.721279 0.897672 1.363015
N -1.644690 0.242758 1.520733
C -0.665905 1.147291 0.900716
C -1.014825 2.600951 1.380328
C 1.687037 0.294506 0.531205
C -1.941369 -1.042595 1.051098
C -0.776907 3.682800 0.393113
C 1.595509 0.361025 -0.878461
C -1.366784 -1.571752 -0.127367
C 2.820564 -0.300267 1.139976
C -2.878516 -1.810996 1.791998
C 0.417207 3.758193 -0.338034
C -1.770811 4.660498 0.223745
C 2.624096 -0.153092 -1.659039
C -1.737019 -2.839085 -0.560058
C 3.840535 -0.807175 0.346899
C -3.235989 -3.073844 1.345084
C 3.752881 -0.737500 -1.056713
C -2.672200 -3.599821 0.166259
C 0.606354 4.799995 -1.249438
C -1.579405 5.693516 -0.696519
C -0.392167 5.762827 -1.433521
C 4.815410 -1.262928 -1.921364
C -3.032572 -4.929928 -0.330750
H -0.728626 1.079424 -0.224085
H 0.803039 0.711379 2.367235
H -2.007107 0.528801 2.436631
H 0.732385 0.819069 -1.358474
H -0.632353 -1.008174 -0.696339
H 2.897258 -0.360541 2.223386
H -3.321988 -1.412356 2.701223
H 1.208090 3.020158 -0.186321
H -2.687405 4.611637 0.815292
H 2.565024 -0.106134 -2.752224
H -1.299789 -3.259676 -1.472644
H 4.722036 -1.269255 0.805045
H -3.960319 -3.675570 1.904690
H 1.535648 4.863150 -1.815683
H -2.352811 6.448745 -0.834676
H -0.242600 6.571640 -2.149663
H 6.563219 -2.186289 -1.770873
H -4.194297 -6.459897 0.159839


%chk=000269306-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269306

0 1
O -2.080881 2.626457 2.042178
O 6.195151 -1.016233 -1.118508
O -4.200534 -5.854601 0.739418
O 5.080101 -1.024839 -3.157979
O -2.437773 -6.060726 -0.759982
N 0.416096 0.722748 1.079075
N -1.961328 0.141724 1.232273
C -0.963409 0.992929 0.617493
C -1.318547 2.464403 1.039708
C 1.522647 0.341682 0.318812
C -2.204826 -1.197561 0.936117
C -0.742262 3.622512 0.303683
C 1.473824 0.136908 -1.096425
C -1.400996 -1.944236 0.022407
C 2.770586 0.144459 0.989520
C -3.307189 -1.849968 1.571377
C 0.149056 3.487822 -0.796504
C -1.134776 4.926701 0.722275
C 2.627813 -0.250203 -1.795262
C -1.709313 -3.284933 -0.254628
C 3.915394 -0.242451 0.282961
C -3.603076 -3.190225 1.292881
C 3.862648 -0.442708 -1.124180
C -2.810541 -3.927759 0.369981
C 0.632972 4.632773 -1.461983
C -0.651738 6.066928 0.054943
C 0.233797 5.922983 -1.041394
C 5.043914 -0.843521 -1.913777
C -3.085672 -5.339580 0.042358
H -0.977577 0.897399 -0.482394
H 0.541792 0.769308 2.092962
H -2.536442 0.620512 1.935866
H 0.541612 0.259937 -1.657588
H -0.524229 -1.491815 -0.448123
H 2.825343 0.298325 2.074196
H -3.929669 -1.286860 2.277277
H 0.492476 2.504651 -1.129009
H -1.821479 5.014286 1.570383
H 2.591585 -0.413685 -2.877545
H -1.095593 -3.863258 -0.953476
H 4.863527 -0.393007 0.806416
H -4.449771 -3.682761 1.779006
H 1.324045 4.519799 -2.303684
H -0.961797 7.064901 0.382136
H 0.610662 6.809686 -1.562873
H 6.945261 -1.288460 -1.711734
H -4.321580 -6.803140 0.466846


