%chk=000218477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218477

0 1
O 0.122341 -1.464240 0.002949
O -2.837369 0.490208 0.645736
O 5.103949 0.908062 0.046898
O 4.841941 -1.853115 -0.501438
O -2.668126 -1.726470 0.224702
N -6.372655 0.426742 -0.494051
C 1.435995 0.424595 0.274978
C 0.056343 0.811701 0.478271
C 1.416131 -0.965996 -0.010259
C -0.694843 -0.333270 0.309365
C 2.670050 1.102939 0.305083
C 2.562973 -1.723971 -0.269815
C 3.821311 0.378468 0.052606
C -4.891041 0.270292 -0.647445
C 3.776877 -1.039702 -0.236905
C -0.421968 2.166229 0.801406
C -4.287964 0.361987 0.760450
C -2.116354 -0.661954 0.371919
C -7.024429 -0.896249 -0.258390
C -6.964295 1.090506 -1.693378
C 5.238791 2.319747 0.339448
C 6.180109 -1.290246 -0.500635
H 2.686574 2.166738 0.523700
H 2.517629 -2.789432 -0.485488
H -4.471777 1.084291 -1.276871
H -4.583364 -0.683767 -1.130383
H -1.525091 2.205811 0.884006
H -0.012778 2.518429 1.760701
H -0.127500 2.892854 0.029287
H -4.525852 -0.513669 1.386889
H -4.551897 1.300595 1.280552
H -6.575256 -1.371895 0.628379
H -6.951399 -1.605044 -1.096566
H -8.090441 -0.731487 -0.034379
H -8.046590 1.221369 -1.530687
H -6.822314 0.550233 -2.640602
H -6.530873 2.098324 -1.796190
H 6.325865 2.456002 0.271472
H 4.879888 2.536555 1.349742
H 4.721758 2.917445 -0.416778
H 6.416938 -0.887053 0.489843
H 6.262802 -0.518361 -1.273389
H 6.788714 -2.170900 -0.737931


%chk=000218477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218477

0 1
O 0.135382 -1.412342 -0.069481
O -2.855747 0.544451 0.723881
O 5.155534 1.020043 -0.230264
O 4.952687 -1.731532 -0.781610
O -2.627937 -1.729319 0.195151
N -6.448694 0.292192 -0.447518
C 1.466306 0.467601 0.172427
C 0.093154 0.869086 0.423003
C 1.445823 -0.921805 -0.122268
C -0.679127 -0.287326 0.269878
C 2.706407 1.159440 0.162748
C 2.596620 -1.668820 -0.405979
C 3.878153 0.438698 -0.138213
C -4.996438 0.560672 -0.544964
C 3.827968 -0.983609 -0.408384
C -0.343721 2.264309 0.772759
C -4.330153 0.341661 0.827669
C -2.109274 -0.600978 0.375074
C -6.778624 -1.145806 -0.549030
C -7.266099 1.114999 -1.360374
C 5.247627 2.471554 -0.060485
C 6.140267 -1.701341 0.100401
H 2.739950 2.232350 0.369966
H 2.573804 -2.738287 -0.624335
H -4.844903 1.612136 -0.849245
H -4.491955 -0.082249 -1.305341
H -1.429015 2.313607 0.934036
H 0.167491 2.611369 1.691085
H -0.073358 2.969546 -0.036718
H -4.524723 -0.674685 1.209100
H -4.669073 1.095094 1.554268
H -6.175715 -1.730885 0.165550
H -6.591170 -1.562239 -1.570396
H -7.844281 -1.300392 -0.302203
H -8.337481 0.939612 -1.153260
H -7.087940 0.894404 -2.443406
H -7.058650 2.186052 -1.188689
H 6.310202 2.711900 -0.211292
H 4.935690 2.779658 0.956601
H 4.633709 3.000077 -0.815201
H 5.871290 -2.053214 1.114954
H 6.569838 -0.688484 0.150145
H 6.848984 -2.403895 -0.363237


