%chk=000297074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297074

0 1
O -1.312772 3.166628 0.568285
O 4.126604 -0.316492 -1.626098
O 4.196654 -1.568423 0.383459
N -3.985699 0.763862 0.596463
N 0.188722 -0.161549 0.171826
N -3.603077 3.089043 0.441037
C -2.498120 0.964462 0.432739
C -1.945280 0.469291 -0.917238
C -1.769595 0.299612 1.614587
C -0.415023 0.605925 -0.968064
C -0.245747 0.435373 1.478657
C -2.330781 2.512917 0.504182
C -4.692640 2.083753 0.441345
C 1.683159 -0.191322 0.067497
C -4.633504 -0.403134 0.088979
C 2.076132 -1.377018 -0.831598
C 3.581569 -1.528622 -0.965591
C -5.903720 -0.336812 -0.520208
C -4.039378 -1.667104 0.309524
C 4.067169 -2.735960 -1.731436
C 5.018885 0.263949 -0.742212
C 5.061652 -0.491361 0.469674
C -6.559380 -1.513288 -0.891512
C -4.706991 -2.826808 -0.072560
C -5.969430 -2.759703 -0.675209
C 5.780730 1.396214 -0.924263
C 5.867514 -0.132017 1.526493
C 6.610147 1.767514 0.161084
C 6.652135 1.031544 1.341131
H -2.215772 -0.597520 -1.067068
H -2.403637 1.021519 -1.757823
H -2.109821 0.729209 2.575316
H -2.046133 -0.780588 1.646599
H -0.036954 0.176542 -1.920171
H -0.129968 1.684365 -0.957675
H 0.048855 1.506577 1.581748
H 0.247366 -0.125480 2.301427
H -5.374648 2.214099 1.316262
H -5.285023 2.160041 -0.503596
H 2.120463 0.749858 -0.332948
H 2.132566 -0.343205 1.075385
H -3.795164 4.072095 0.566866
H 1.636120 -2.309740 -0.416733
H 1.628216 -1.257490 -1.839881
H -6.386918 0.617243 -0.711332
H -3.060999 -1.734757 0.796441
H 5.163144 -2.724469 -1.833275
H 3.802726 -3.669672 -1.217113
H 3.650292 -2.768243 -2.746091
H -7.542446 -1.451811 -1.358514
H -4.242033 -3.797242 0.103153
H -6.484160 -3.670226 -0.968759
H 5.750387 1.973596 -1.842529
H 5.903369 -0.703204 2.448322
H 7.228817 2.658175 0.057095
H 7.303818 1.349955 2.153925


%chk=000297074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297074

0 1
O -1.718865 3.477470 -0.064257
O 4.335497 0.040045 -1.418979
O 4.039638 -1.632657 0.285946
N -4.094202 0.772471 0.091104
N 0.142014 0.121283 -0.100328
N -4.028241 3.062173 0.080943
C -2.645518 1.135421 0.018226
C -1.975652 0.639818 -1.304732
C -1.853963 0.667228 1.283261
C -0.440996 0.790430 -1.295542
C -0.327927 0.816794 1.129454
C -2.699913 2.687158 0.004128
C -4.976389 1.953381 0.146278
C 1.626080 0.047434 -0.152842
C -4.657496 -0.513322 0.144363
C 2.107301 -1.026385 -1.149531
C 3.617905 -1.260765 -1.119903
C -6.079110 -0.657755 0.233599
C -3.874954 -1.711720 0.112858
C 4.132829 -2.330328 -2.080017
C 5.277905 0.216731 -0.381484
C 5.105965 -0.767043 0.618831
C -6.680186 -1.931756 0.287029
C -4.493228 -2.976046 0.167239
C -5.898437 -3.107469 0.254675
C 6.252734 1.212701 -0.276712
C 5.901033 -0.800194 1.767505
C 7.072931 1.190977 0.886859
C 6.901489 0.205837 1.886901
H -2.227652 -0.422002 -1.459698
H -2.400712 1.204412 -2.156345
H -2.199798 1.246467 2.160557
H -2.086450 -0.392226 1.479579
H -0.040731 0.315530 -2.209363
H -0.163295 1.870823 -1.322743
H -0.050569 1.897463 1.115926
H 0.163029 0.350377 2.003882
H -5.570822 1.979773 1.086978
H -5.688197 1.975432 -0.708749
H 2.085456 1.031796 -0.410442
H 1.985984 -0.232953 0.853519
H -4.312165 4.041329 0.088378
H 1.602433 -1.981496 -0.913817
H 1.838049 -0.756876 -2.187815
H -6.727880 0.223076 0.261837
H -2.785739 -1.671030 0.047637
H 5.228022 -2.425862 -1.989921
H 3.671461 -3.304404 -1.844218
H 3.885746 -2.057481 -3.120222
H -7.772324 -2.000327 0.354845
H -3.860544 -3.871014 0.141637
H -6.368242 -4.095222 0.296846
H 6.374392 1.971777 -1.054007
H 5.756967 -1.564430 2.535922
H 7.850217 1.953243 1.003990
H 7.547519 0.212014 2.770935


