%chk=000216586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216586

0 1
O -0.301897 2.076515 -1.562247
O 3.037200 -2.456971 -1.514324
O 4.026777 1.345118 1.493391
O 4.949030 -1.139668 0.296680
N -5.507401 -1.350205 2.045478
N -1.248799 0.340772 -0.355033
C -3.584816 -0.096982 0.267387
C -3.128166 -1.166080 1.224619
C -4.948468 0.204929 0.125955
C -4.272033 -2.092909 1.680012
C -6.006139 -0.572010 0.878180
C -2.642301 0.653297 -0.488455
C -5.370668 1.222478 -0.743740
C -3.071428 1.671880 -1.353086
C -4.433577 1.950114 -1.474481
C -0.173119 1.069646 -0.899545
C 1.163675 0.459772 -0.554065
C 1.989065 1.125648 0.354765
C 1.546335 -0.738972 -1.148962
C 2.821289 -1.275340 -0.863575
C 3.248858 0.582246 0.646149
C 3.695065 -0.604292 0.020350
C 4.288204 -3.160979 -1.293305
C 4.638291 0.638328 2.608492
C 6.033975 -0.360055 -0.291230
H -2.331387 -1.788278 0.766991
H -2.670443 -0.676420 2.110996
H -4.522473 -2.815827 0.871918
H -3.956038 -2.696614 2.557156
H -6.817171 0.103740 1.231248
H -6.491270 -1.290673 0.172803
H -5.301562 -0.705789 2.819111
H -6.430238 1.444988 -0.847631
H -2.344363 2.254303 -1.929865
H -4.760766 2.743274 -2.146882
H -1.028492 -0.500480 0.187822
H 1.686218 2.061647 0.824454
H 0.901673 -1.264200 -1.853529
H 4.095305 -4.115069 -1.798131
H 4.472273 -3.294495 -0.221288
H 5.105771 -2.609627 -1.764839
H 5.162629 -0.264669 2.275830
H 3.857759 0.398704 3.336210
H 5.332503 1.390239 3.000340
H 6.920355 -0.899111 0.056886
H 6.009494 0.667037 0.089940
H 5.953073 -0.374663 -1.380950


%chk=000216586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216586

0 1
O -0.027130 2.474385 0.140592
O 2.686887 -2.939360 -0.493627
O 4.923044 1.264367 0.596637
O 5.079915 -1.486903 0.041012
N -5.542700 -2.232392 0.679679
N -1.170977 0.420360 0.152781
C -3.531971 -0.199423 0.161231
C -3.120461 -1.675042 0.182426
C -4.900987 0.172788 0.183901
C -4.320390 -2.638154 -0.046541
C -5.999255 -0.898226 0.232461
C -2.534601 0.831877 0.140843
C -5.265867 1.541080 0.159688
C -2.907566 2.200525 0.114578
C -4.275383 2.542497 0.119703
C -0.016307 1.202109 0.128937
C 1.284953 0.437761 0.107182
C 2.455792 1.197110 0.347270
C 1.397442 -0.951344 -0.135588
C 2.665322 -1.575041 -0.154858
C 3.722771 0.583297 0.340288
C 3.849745 -0.814346 0.060855
C 3.387711 -3.857457 0.432453
C 4.829545 2.693704 0.920142
C 6.123400 -0.966665 -0.873706
H -2.360179 -1.881522 -0.602752
H -2.645928 -1.916424 1.159089
H -4.572330 -2.660891 -1.124346
H -4.042605 -3.666450 0.246757
H -6.818758 -0.561289 0.893255
H -6.440813 -1.012614 -0.779263
H -5.403412 -2.261014 1.700147
H -6.327951 1.816007 0.178253
H -2.128391 2.963523 0.098489
H -4.562088 3.599872 0.103986
H -1.023285 -0.587969 0.202406
H 2.324862 2.266749 0.532498
H 0.544324 -1.598397 -0.367666
H 3.281653 -4.853818 -0.022843
H 2.897327 -3.843016 1.425271
H 4.449716 -3.581278 0.529617
H 4.218039 2.855200 1.827590
H 4.402418 3.268840 0.077033
H 5.865814 3.012121 1.105249
H 6.963327 -1.670255 -0.771261
H 6.426221 0.049909 -0.576736
H 5.750904 -0.970494 -1.915112


