%chk=000260642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260642

0 1
O 1.638336 -0.168267 1.494656
O -0.723341 0.370674 1.656144
O 1.264110 1.115986 -3.066895
O -2.476422 -0.303195 -2.625037
O 1.986438 3.722768 -2.059604
O -3.727938 2.280982 -2.322551
N 0.912309 -5.766583 0.974598
C -0.047819 -0.439525 -1.032691
C 1.112213 0.495879 -0.771179
C -1.338771 0.217126 -0.592042
C 0.166069 -1.838064 -0.487231
C 1.834134 0.575580 0.380507
C -1.634677 0.629935 0.664501
C 1.479710 1.360566 -1.906744
C -2.359747 0.398401 -1.656056
C 2.986722 1.492545 0.559183
C -2.893704 1.314159 1.035833
C 1.375274 -2.496821 -0.777649
C -0.815735 -2.534085 0.227759
C 3.180191 2.524980 -0.382149
C -3.733848 1.785269 0.006938
C 2.211894 2.676391 -1.509935
C -3.337245 1.587403 -1.422259
C 0.626089 -4.492168 0.400083
C 1.610663 -3.794952 -0.342102
C -0.596011 -3.837608 0.671124
C 3.874681 1.352521 1.630420
C -3.266527 1.505187 2.371466
C 4.251301 3.409517 -0.242207
C -4.921937 2.452680 0.317807
C 4.954828 2.235596 1.758735
C -4.463832 2.162087 2.678693
C 5.143603 3.258973 0.827944
C -5.289206 2.636568 1.656308
C 1.988192 -6.560592 0.317570
C -0.264537 -6.618830 1.304637
H -0.114684 -0.575278 -2.164426
H 2.141613 -1.980158 -1.359643
H -1.776521 -2.064623 0.439878
H 2.561982 -4.267469 -0.576952
H -1.380444 -4.343080 1.229449
H 3.719294 0.554037 2.360690
H -2.628367 1.138694 3.177393
H 4.383731 4.215964 -0.968660
H -5.555034 2.830142 -0.491697
H 0.844334 -0.800839 1.406682
H -0.947180 0.811037 2.518671
H 5.648962 2.120338 2.591911
H -4.750610 2.304023 3.721878
H 5.984072 3.945607 0.931742
H -6.219322 3.152787 1.897892
H 2.182672 -7.472172 0.905890
H 2.926161 -5.977652 0.312841
H 1.754184 -6.855808 -0.717333
H -0.928852 -6.077413 2.000773
H 0.075580 -7.526830 1.828819
H -0.853030 -6.922891 0.424725


%chk=000260642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260642

0 1
O 2.042222 -0.565596 1.346618
O -0.726612 0.759324 1.621107
O 0.347526 2.022606 -2.365110
O -2.183280 -0.492771 -2.737654
O 2.462083 3.823542 -2.017385
O -4.628094 0.818984 -2.345952
N 0.801845 -5.932504 0.586537
C 0.005436 -0.358693 -0.922752
C 1.145452 0.618415 -0.592838
C -1.369291 0.220982 -0.591565
C 0.212260 -1.810479 -0.451102
C 2.068497 0.471526 0.439659
C -1.695738 0.810835 0.614881
C 1.211849 1.801302 -1.457121
C -2.387939 0.131275 -1.655449
C 3.172055 1.423356 0.688562
C -2.996138 1.457501 0.900678
C 1.153972 -2.625140 -1.139962
C -0.536119 -2.425703 0.586014
C 3.321757 2.573571 -0.140083
C -3.998379 1.486833 -0.115897
C 2.363056 2.823084 -1.254321
C -3.757947 0.826222 -1.434163
C 0.609520 -4.590627 0.250603
C 1.359046 -3.971883 -0.804500
C -0.347101 -3.777703 0.937328
C 4.090691 1.206197 1.745064
C -3.285405 2.059347 2.152548
C 4.379422 3.484185 0.093041
C -5.237944 2.123610 0.120401
C 5.143264 2.120743 1.970485
C -4.524436 2.698147 2.380016
C 5.291579 3.262038 1.145611
C -5.505227 2.735941 1.362276
C 1.770076 -6.746827 -0.159582
C -0.013032 -6.548658 1.640633
H -0.012705 -0.407158 -2.031674
H 1.731288 -2.188602 -1.964230
H -1.290796 -1.843630 1.125120
H 2.092286 -4.550335 -1.372962
H -0.956344 -4.200491 1.740619
H 3.970619 0.321026 2.374501
H -2.564994 2.044580 2.981250
H 4.463591 4.355623 -0.564499
H -5.975625 2.121951 -0.688735
H 1.310693 -1.214756 1.112922
H -0.932569 1.353867 2.384077
H 5.849462 1.942726 2.788780
H -4.723613 3.161751 3.351753
H 6.110261 3.967075 1.323554
H -6.464271 3.232392 1.539962
H 1.787413 -7.766618 0.255782
H 2.796101 -6.333516 -0.084815
H 1.509011 -6.821588 -1.235274
H 0.126079 -6.039859 2.616202
H 0.284133 -7.601678 1.765072
H -1.094943 -6.526245 1.395069


