%chk=000217808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217808

0 1
O 2.929003 -1.955745 -0.141335
O 4.041715 0.754434 0.034196
N -2.391730 1.119274 0.017479
N -3.823315 -2.209777 0.500745
C -1.601261 -0.150625 0.199139
C -2.078488 -1.128195 -0.899668
C -3.584419 -1.433287 -0.758711
C -3.837874 0.864117 0.323712
C -4.393417 -0.119627 -0.719567
C -1.837080 2.226791 0.854972
C -0.104947 0.097581 0.119953
C -0.463062 2.596572 0.273418
C 0.435824 1.398059 0.172025
C 0.758443 -1.005558 0.057266
C 1.823314 1.590681 0.106212
C 2.141788 -0.816551 0.005392
C 2.677706 0.488877 0.013086
C 3.813359 -2.199139 0.987441
C 4.758430 0.270164 -1.134932
H -1.808083 -0.617423 1.205391
H -1.888760 -0.676371 -1.894235
H -1.488241 -2.061022 -0.862148
H -3.907795 -2.016549 -1.662619
H -4.386528 1.826878 0.257511
H -3.998260 0.455614 1.346321
H -5.458696 -0.319851 -0.508256
H -4.351817 0.351164 -1.722738
H -1.743185 1.964151 1.930439
H -2.518894 3.101123 0.791107
H 0.000487 3.394405 0.884833
H -0.598347 3.022426 -0.746866
H 0.370157 -2.024286 0.046270
H -3.317349 -3.088992 0.485393
H -4.807891 -2.426812 0.611493
H 2.254545 2.590281 0.127676
H 3.215458 -2.455303 1.865971
H 4.443872 -1.323100 1.177997
H 4.402295 -3.054623 0.641988
H 5.801770 0.457248 -0.861715
H 4.461587 0.861167 -2.005503
H 4.565687 -0.797069 -1.295634


%chk=000217808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217808

0 1
O 2.991422 -1.994406 -0.047671
O 4.108065 0.720148 -0.019235
N -2.405804 1.104947 0.068549
N -3.886394 -2.214669 0.407875
C -1.623904 -0.159868 0.181364
C -2.111516 -1.126154 -0.929831
C -3.627296 -1.419049 -0.816718
C -3.846925 0.858681 0.320158
C -4.417184 -0.089555 -0.750933
C -1.844276 2.195217 0.895080
C -0.113901 0.090718 0.118113
C -0.482619 2.610609 0.314519
C 0.432896 1.403152 0.174961
C 0.774175 -1.012766 0.065067
C 1.837081 1.575361 0.113999
C 2.169789 -0.839501 0.026573
C 2.711556 0.477127 0.016241
C 3.885320 -2.178903 1.118737
C 4.772382 0.271846 -1.264562
H -1.850010 -0.652599 1.163973
H -1.899575 -0.665495 -1.912476
H -1.552928 -2.080682 -0.880804
H -3.938260 -1.958408 -1.745029
H -4.376022 1.829552 0.276613
H -4.017238 0.419555 1.334142
H -5.487666 -0.292953 -0.544165
H -4.353003 0.405630 -1.737959
H -1.726816 1.896099 1.968633
H -2.546530 3.049049 0.865414
H -0.006751 3.375561 0.958021
H -0.653164 3.072322 -0.677682
H 0.400199 -2.042031 0.068156
H -3.352950 -3.089845 0.452163
H -4.882603 -2.368555 0.597853
H 2.275306 2.579610 0.140886
H 3.286523 -2.337172 2.036150
H 4.546961 -1.303817 1.251602
H 4.476564 -3.080895 0.897231
H 5.841979 0.490934 -1.122771
H 4.382879 0.842018 -2.129542
H 4.616239 -0.809714 -1.429196


