%chk=000262228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262228

0 1
O 5.387589 -0.920023 1.698982
O 0.632862 0.466350 1.134154
O 5.029956 -1.556157 -0.412816
N -0.160878 -0.712719 -0.648704
N -1.993045 0.336503 0.683758
N -2.529526 -0.867768 -1.221888
C 2.284240 -0.641431 -0.289927
C 3.307599 -0.245987 0.801647
C 2.649180 -0.019256 -1.651476
C 3.554669 1.274384 0.850377
C 2.836975 1.498746 -1.562129
C 3.905352 1.856991 -0.521561
C 0.887330 -0.214898 0.155729
C 4.615264 -0.972270 0.560626
C -1.529730 -0.427911 -0.415929
C -3.396391 0.377761 0.554234
C -3.713805 -0.375839 -0.633476
C -4.395242 0.980899 1.334471
C -5.054818 -0.520348 -1.034285
C -5.705796 0.819422 0.911664
C -6.030141 0.080122 -0.254758
H 2.299471 -1.759606 -0.397215
H 2.912621 -0.561675 1.807471
H 1.891849 -0.267574 -2.416686
H 3.596671 -0.492487 -2.001159
H 4.353983 1.498561 1.584246
H 2.632020 1.758583 1.242812
H 1.878036 1.989761 -1.304152
H 3.125319 1.898494 -2.553551
H 4.894757 1.485584 -0.854098
H 4.005101 2.956982 -0.445106
H 0.020815 -1.278938 -1.486240
H 6.265730 -1.375081 1.589773
H -1.417016 0.764405 1.401251
H -4.145228 1.545924 2.226863
H -5.294407 -1.089533 -1.930434
H -6.516312 1.268926 1.484608
H -7.078655 -0.011795 -0.536074


%chk=000262228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262228

0 1
O 5.609611 -0.330409 1.597796
O 0.586549 -0.064821 1.521748
O 4.826538 -1.969103 0.164335
N -0.131857 -0.407067 -0.657303
N -2.022056 0.093687 0.822760
N -2.419048 -0.277115 -1.409412
C 2.288169 -0.706292 -0.152436
C 3.308561 -0.130291 0.868452
C 2.652494 -0.282079 -1.604643
C 3.501676 1.405442 0.698173
C 2.806868 1.249525 -1.754376
C 3.855857 1.793484 -0.755464
C 0.865129 -0.345844 0.307616
C 4.613345 -0.909937 0.800434
C -1.499827 -0.201531 -0.432011
C -3.410712 0.223193 0.656267
C -3.641644 -0.012172 -0.746485
C -4.455324 0.510387 1.556687
C -4.955887 0.041703 -1.262705
C -5.760759 0.558832 1.019598
C -6.006397 0.328724 -0.365821
H 2.351445 -1.814470 -0.103110
H 2.902229 -0.297013 1.887523
H 1.924203 -0.678421 -2.341016
H 3.610463 -0.775942 -1.854310
H 4.281408 1.753040 1.396913
H 2.553530 1.893900 0.993721
H 1.833315 1.750731 -1.575383
H 3.103858 1.492444 -2.792082
H 4.856058 1.390521 -1.016412
H 3.926050 2.894481 -0.838097
H 0.105257 -0.620019 -1.628535
H 6.426974 -0.897550 1.556646
H -1.425842 0.181881 1.652212
H -4.273906 0.687393 2.621656
H -5.139900 -0.136263 -2.326341
H -6.604652 0.777839 1.682996
H -7.035377 0.376233 -0.738587


