%chk=000260983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260983

0 1
O -1.127255 -3.938680 0.347021
N -2.257887 -1.434012 0.822606
N 1.463880 0.659029 -0.363171
N 0.228337 -2.501730 -0.780172
N -1.357237 0.480088 -0.066037
N 2.671693 -1.045200 0.592544
C 0.224564 -1.510739 0.332185
C -1.098616 -0.781804 0.340391
C 1.440324 -0.634956 0.202315
C -3.312168 -0.517145 0.694202
C 2.793056 1.096172 -0.294963
C -2.733023 0.679697 0.146803
C 3.538512 0.016332 0.295041
C -4.682790 -0.596932 1.001613
C 3.420347 2.294142 -0.689544
C -5.465279 0.521999 0.761827
C 4.786975 2.402760 -0.493225
C -3.546120 1.807136 -0.087623
C 4.931107 0.149006 0.484408
C -4.895041 1.727225 0.216229
C 5.545031 1.326039 0.095467
C -0.437175 -3.722789 -0.641817
C -6.926395 0.473404 1.077176
C 5.486765 3.661119 -0.898166
C -5.772943 2.914284 -0.025918
C 7.019963 1.484674 0.291046
C -0.258677 -4.688073 -1.773280
H 0.317318 -2.080361 1.316919
H -2.317790 -2.413061 1.095497
H 0.654836 1.202632 -0.651741
H 0.805117 -2.283437 -1.588058
H -5.100550 -1.510640 1.414033
H 2.838347 3.098273 -1.129184
H -3.098707 2.710016 -0.498271
H 5.484509 -0.674626 0.932598
H -7.534661 0.657737 0.179959
H -7.240522 -0.496781 1.483864
H -7.198774 1.236263 1.820958
H 4.806224 4.403211 -1.335333
H 5.973362 4.140301 -0.036175
H 6.267514 3.460397 -1.645809
H -5.221877 3.767365 -0.443382
H -6.580130 2.676945 -0.733182
H -6.241087 3.261091 0.906311
H 7.533763 1.660444 -0.664331
H 7.245743 2.334522 0.950597
H 7.481394 0.597228 0.744483
H -0.831466 -5.610562 -1.575258
H -0.616958 -4.287072 -2.731381
H 0.791448 -4.987231 -1.904472


%chk=000260983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260983

0 1
O -1.491185 -4.006195 0.357059
N -2.349170 -1.485653 0.427794
N 1.385190 0.687595 0.479844
N 0.405435 -2.774481 -0.225935
N -1.265114 0.518295 0.421321
N 2.590676 -1.196715 0.002813
C 0.186449 -1.573153 0.627329
C -1.128477 -0.829815 0.438887
C 1.395497 -0.691890 0.371500
C -3.350294 -0.509117 0.375771
C 2.675888 1.129321 0.159336
C -2.657565 0.746211 0.375076
C 3.424346 -0.061448 -0.132607
C -4.757302 -0.578231 0.329788
C 3.262633 2.408437 0.089514
C -5.485307 0.631074 0.288716
C 4.624153 2.501716 -0.274806
C -3.389880 1.953206 0.332728
C 4.786215 0.038429 -0.492622
C -4.799284 1.902313 0.290215
C 5.389733 1.312231 -0.564839
C -0.354223 -3.914432 -0.230730
C -7.003232 0.589023 0.243017
C 5.284471 3.867016 -0.360702
C -5.598370 3.193913 0.244961
C 6.855497 1.429958 -0.948752
C 0.219331 -5.094322 -1.001933
H 0.204792 -1.913693 1.688236
H -2.382510 -2.529150 0.466434
H 0.461224 1.171024 0.563440
H 1.360012 -2.778717 -0.621803
H -5.282642 -1.538990 0.327971
H 2.688366 3.314014 0.312075
H -2.867545 2.915474 0.332147
H 5.364023 -0.865439 -0.711467
H -7.398133 1.083883 -0.665300
H -7.374433 -0.449724 0.248400
H -7.452489 1.112250 1.109195
H 4.576726 4.671227 -0.096734
H 6.153106 3.945023 0.321391
H 5.663358 4.073568 -1.380529
H -4.932335 4.073253 0.253806
H -6.225631 3.256217 -0.665308
H -6.283986 3.282450 1.109803
H 6.994030 2.049883 -1.855709
H 7.452907 1.904375 -0.145947
H 7.293625 0.437755 -1.150052
H -0.491024 -5.389037 -1.793149
H 1.200183 -4.882182 -1.458055
H 0.319269 -5.953051 -0.315985


