%chk=000216758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216758

0 1
O -5.120886 -1.740070 0.075630
N -1.251318 1.021731 -0.597927
N -3.494231 -0.368052 0.540152
N -4.194667 -1.463776 0.797713
C -1.039943 0.001577 0.481623
C -2.407288 0.619348 -1.468948
C -0.011337 1.187360 -1.431586
C -2.295215 -0.065486 1.372175
C -3.688439 0.554432 -0.616247
C 1.102885 1.778893 -0.599176
C 2.366837 1.168592 -0.486879
C 2.694060 -0.137120 -1.166277
C 0.861542 2.993706 0.064091
C 3.365680 1.791397 0.280507
C 2.025064 -1.315637 -0.507265
C 1.859112 3.602743 0.825689
C 3.116682 3.000293 0.931543
C 2.090388 -1.479891 0.885627
C 1.346339 -2.266024 -1.285063
C 1.475832 -2.577801 1.491369
C 0.732454 -3.362748 -0.672681
C 0.792566 -3.520009 0.714991
H -0.169431 0.322981 1.098563
H -0.791496 -1.009656 0.087330
H -2.247295 -0.351846 -1.985967
H -2.537091 1.393410 -2.256433
H -0.250159 1.901018 -2.256013
H 0.302438 0.239416 -1.920952
H -2.168180 -0.838228 2.162288
H -2.460782 0.912443 1.881350
H -3.945787 1.564770 -0.226592
H -4.548420 0.203559 -1.230891
H 3.794124 -0.312591 -1.166596
H 2.427294 -0.074066 -2.243190
H -0.126650 3.452174 -0.012338
H 4.346222 1.326497 0.370479
H 1.658747 4.543214 1.334998
H 3.900164 3.472446 1.521398
H 2.619664 -0.746295 1.492831
H 1.299601 -2.159021 -2.366418
H 1.530675 -2.701819 2.572073
H 0.205844 -4.097666 -1.280435
H 0.312000 -4.373499 1.189154


%chk=000216758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216758

0 1
O -5.731346 -1.007845 0.140289
N -1.352435 0.966092 -0.565848
N -3.784792 0.047213 0.563295
N -4.734274 -0.883703 0.948706
C -1.320092 0.047709 0.602965
C -2.502157 0.654792 -1.452446
C -0.061437 0.985543 -1.304696
C -2.609245 0.208349 1.432210
C -3.832538 0.825261 -0.689501
C 1.060372 1.658171 -0.513123
C 2.396364 1.157959 -0.511039
C 2.790782 -0.133157 -1.229025
C 0.765153 2.851330 0.192996
C 3.392929 1.878627 0.197367
C 2.254020 -1.416290 -0.582703
C 1.765151 3.555723 0.896471
C 3.091520 3.067767 0.896364
C 2.246887 -1.576292 0.826894
C 1.784580 -2.485623 -1.387618
C 1.784621 -2.774776 1.415391
C 1.322358 -3.686862 -0.802947
C 1.319155 -3.835444 0.603108
H -0.448384 0.302526 1.229865
H -1.208878 -1.017906 0.282603
H -2.446030 -0.388422 -1.854287
H -2.489709 1.350484 -2.311662
H -0.233565 1.561796 -2.236731
H 0.240223 -0.041544 -1.612682
H -2.676172 -0.551891 2.228268
H -2.624292 1.217258 1.888517
H -3.991339 1.893076 -0.445759
H -4.694279 0.454578 -1.272075
H 3.897297 -0.188719 -1.250544
H 2.470235 -0.107794 -2.288252
H -0.271800 3.205726 0.187367
H 4.421831 1.497332 0.196867
H 1.514383 4.476744 1.434730
H 3.881238 3.605086 1.433281
H 2.598383 -0.755356 1.463019
H 1.784085 -2.378633 -2.480170
H 1.787532 -2.882239 2.506282
H 0.962899 -4.501955 -1.441343
H 0.958367 -4.763993 1.059297


