%chk=000215411.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215411

0 1
O -0.944738 0.008038 -2.087726
N 2.811587 -0.693654 -0.093751
C 3.044430 -0.427098 1.364675
C 4.064981 -0.334993 -0.852063
C 4.561412 -0.681756 1.546537
C 5.209688 -0.348697 0.193518
C 1.579714 -0.095548 -0.681406
C 0.336748 -0.896808 -0.219190
C -0.962722 -0.145073 -0.645964
C 2.659956 0.972523 1.863217
C 4.278443 -1.366419 -1.964363
C 0.362560 -2.312521 -0.799752
C -2.247171 -0.877117 -0.263414
C -1.013569 1.276235 -0.097555
C -3.353912 -0.790358 -1.121083
C -1.064820 1.492317 1.287514
C -2.356867 -1.599234 0.932417
C -1.010866 2.372689 -0.970869
C -4.551307 -1.430234 -0.793270
C -1.103684 2.795192 1.791239
C -3.557155 -2.237724 1.259231
C -1.051574 3.673840 -0.462747
C -4.655041 -2.156694 0.397514
C -1.095525 3.887898 0.918307
H 2.446179 -1.188901 1.923571
H 3.995446 0.683819 -1.308960
H 4.737535 -1.739617 1.809244
H 4.987197 -0.079950 2.363325
H 5.712125 0.631762 0.226186
H 5.986945 -1.086698 -0.063098
H 1.649235 -0.145272 -1.791010
H 1.455773 0.981738 -0.433380
H 0.349449 -0.965527 0.895989
H 3.214433 1.755946 1.335251
H 1.591797 1.178865 1.723626
H 2.873636 1.082452 2.930777
H 5.211972 -1.184334 -2.503649
H 4.311139 -2.384258 -1.554389
H 3.457421 -1.347050 -2.689414
H -0.417433 -2.949878 -0.370925
H 0.238493 -2.312149 -1.888754
H 1.335543 -2.785131 -0.589865
H -0.775471 -0.865076 -2.508826
H -3.270435 -0.211504 -2.044050
H -1.087325 0.648623 1.975002
H -1.509825 -1.671384 1.613158
H -0.979110 2.200815 -2.050182
H -5.405598 -1.358904 -1.464153
H -1.145336 2.958631 2.866465
H -3.635765 -2.798562 2.188719
H -1.050959 4.521462 -1.145726
H -5.588024 -2.654366 0.653674
H -1.127208 4.901245 1.312877


%chk=000215411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215411

0 1
O -0.962201 -0.154518 -2.185497
N 2.844263 -0.618925 -0.089986
C 3.059455 -0.581654 1.386000
C 4.096074 -0.171980 -0.780935
C 4.522589 -1.076435 1.486775
C 5.225128 -0.397642 0.276457
C 1.590052 -0.049059 -0.617917
C 0.343760 -0.877510 -0.200229
C -0.980910 -0.191842 -0.702228
C 2.857492 0.804610 2.061482
C 4.326061 -0.950746 -2.092252
C 0.481771 -2.337799 -0.689746
C -2.265103 -0.925050 -0.236342
C -1.059235 1.281570 -0.246267
C -3.442937 -0.786845 -1.016537
C -1.166373 1.589089 1.134171
C -2.337177 -1.676367 0.964413
C -1.028725 2.341926 -1.183628
C -4.654819 -1.387626 -0.613650
C -1.227255 2.930244 1.570465
C -3.549844 -2.277497 1.370738
C -1.096173 3.684935 -0.747195
C -4.714921 -2.137287 0.584043
C -1.191352 3.986690 0.630241
H 2.371922 -1.305311 1.869739
H 4.039060 0.916505 -1.029295
H 4.547092 -2.175340 1.376626
H 4.988051 -0.814740 2.453279
H 5.672796 0.567175 0.575297
H 6.037722 -1.024937 -0.130219
H 1.645292 -0.047949 -1.722380
H 1.449715 1.012564 -0.309646
H 0.304261 -0.881751 0.908248
H 3.553865 1.560321 1.653080
H 1.828427 1.183663 1.923045
H 3.041338 0.723116 3.149249
H 5.231041 -0.581996 -2.611462
H 4.452977 -2.026776 -1.875489
H 3.471094 -0.840421 -2.784984
H -0.359415 -2.975017 -0.367318
H 0.555382 -2.385996 -1.794944
H 1.425827 -2.757017 -0.303108
H -0.985527 -1.092063 -2.504345
H -3.396589 -0.194915 -1.936497
H -1.224495 0.781811 1.873659
H -1.448474 -1.808606 1.591336
H -0.951201 2.102260 -2.246913
H -5.553034 -1.266238 -1.230010
H -1.311930 3.150046 2.640901
H -3.582117 -2.857346 2.300277
H -1.072438 4.495595 -1.484744
H -5.655018 -2.603536 0.899494
H -1.242845 5.028218 0.967244


