%chk=000258867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258867

0 1
O 4.094581 -2.502458 -0.566199
O -4.443332 3.354001 0.409219
O 5.291826 -0.165537 0.372193
O -4.319382 -0.234133 0.329521
N 1.072937 -0.441370 -0.332480
N -2.280989 0.864432 -1.431430
C -0.171770 -0.350601 -1.156513
C -1.060106 0.768032 -0.573017
C 2.011894 -1.469526 -0.868704
C -3.072154 2.092311 -1.169521
C 3.347441 -1.357716 -0.109465
C -3.874007 2.066482 0.150271
C 4.104789 -0.064966 -0.449760
C -5.008814 1.022592 0.152466
C 6.211121 0.945449 0.204626
C -5.210916 -1.375191 0.458277
C 7.359994 0.613416 1.140347
C -4.267590 -2.559578 0.565045
H -0.733786 -1.307051 -1.211385
H 0.109351 -0.087502 -2.201944
H -0.504664 1.731932 -0.604571
H -1.291726 0.568101 0.494703
H 1.642142 -2.516107 -0.788275
H 2.181641 -1.291264 -1.953832
H -2.405163 2.983685 -1.171512
H -3.755203 2.223843 -2.038726
H 3.224282 -1.458725 0.992619
H -3.208686 1.912776 1.033311
H 0.827413 -0.676849 0.636949
H -2.879845 0.036652 -1.266157
H 3.524091 0.832116 -0.170797
H 4.393551 -0.015896 -1.512385
H -5.698031 1.198068 0.997806
H -5.575561 0.998812 -0.792199
H 5.041181 -2.391448 -0.312464
H -4.981259 3.665441 -0.344743
H 5.693078 1.878874 0.486251
H 6.525689 0.993442 -0.852303
H -5.858816 -1.428268 -0.433495
H -5.825886 -1.240263 1.365199
H 6.999461 0.472547 2.168918
H 7.850577 -0.324889 0.850159
H 8.114261 1.406826 1.147883
H -3.660074 -2.669755 -0.342754
H -3.565666 -2.429449 1.400655
H -4.815072 -3.494988 0.724314


%chk=000258867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258867

0 1
O 4.283210 -2.491082 -0.251556
O -4.454855 3.386449 0.432940
O 5.524570 -0.128169 0.412864
O -4.544206 -0.338924 0.147286
N 1.187420 -0.404323 -0.211708
N -2.234614 0.778506 -1.285547
C -0.065872 -0.365428 -0.996916
C -0.964141 0.797256 -0.534780
C 2.131297 -1.469626 -0.618969
C -3.106203 1.955022 -1.118686
C 3.473996 -1.319078 0.110673
C -3.903537 2.029876 0.215690
C 4.220701 -0.035090 -0.269540
C -5.069765 1.025935 0.292028
C 6.440271 0.967289 0.063517
C -5.596401 -1.362816 0.270736
C 7.759381 0.721948 0.795481
C -4.936970 -2.732271 0.115514
H -0.646600 -1.322429 -0.933833
H 0.186499 -0.216584 -2.062716
H -0.443383 1.752269 -0.735060
H -1.094002 0.729133 0.577360
H 1.755016 -2.503340 -0.430240
H 2.304092 -1.387414 -1.708983
H -2.485800 2.869313 -1.188663
H -3.832556 1.985533 -1.960660
H 3.307474 -1.307519 1.212541
H -3.222946 1.877429 1.070124
H 0.985701 -0.454647 0.798453
H -2.769060 -0.085436 -1.113531
H 3.657805 0.861053 0.058399
H 4.373454 0.008154 -1.370468
H -5.590864 1.139472 1.266470
H -5.802804 1.238102 -0.523510
H 5.214068 -2.272803 0.022693
H -4.975960 3.646227 -0.370848
H 5.989365 1.937343 0.367492
H 6.591401 0.990212 -1.038781
H -6.368401 -1.198691 -0.513736
H -6.088741 -1.265381 1.263375
H 7.594717 0.688980 1.886242
H 8.204027 -0.238795 0.482743
H 8.479899 1.530018 0.573275
H -4.451929 -2.821224 -0.872163
H -4.170270 -2.883673 0.894756
H -5.691680 -3.534475 0.206344


