%chk=000208623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208623

0 1
O 0.138656 -2.696043 0.184087
O -1.305122 2.605789 1.500604
O -2.240416 -1.219925 -2.184827
O 2.291292 -2.861196 0.968944
N 3.760496 1.377869 -0.143416
N 0.870947 0.816232 0.646567
N -4.372609 -0.191950 -0.911392
N 0.456593 -3.409952 2.299346
C 2.615100 0.953802 -1.013465
C 2.561113 2.272982 -0.228083
C 1.688678 -0.047496 -0.317467
C 1.595294 2.093294 0.947082
C 0.634655 -0.738971 -1.237136
C -0.449896 0.809294 0.206693
C -0.667472 -0.116985 -0.784173
C 4.992570 1.827361 -0.823057
C 0.623442 -2.267021 -1.122252
C -1.567842 1.660751 0.783005
C -1.975000 -0.457634 -1.274185
C -2.913339 1.256321 0.375132
C -3.130068 0.267828 -0.551499
C -4.038514 1.988724 1.031329
C 1.094064 -2.958925 1.150595
H 2.704792 0.892918 -2.095758
H 2.604967 3.257997 -0.687711
H 2.280624 -0.783847 0.289215
H 2.142416 1.953817 1.908474
H 0.894525 2.945704 1.074660
H 0.816078 -0.488744 -2.312283
H 4.861822 2.380723 -1.763572
H 5.613429 0.935876 -1.027945
H 5.557784 2.465559 -0.120135
H 1.615425 -2.712758 -1.317026
H -0.152966 -2.706272 -1.785912
H -4.688469 2.483564 0.298695
H -3.659369 2.781981 1.700213
H -4.649974 1.320078 1.651424
H -5.208025 0.266893 -0.597150
H -4.457323 -0.841589 -1.684173
H -0.544092 -3.311261 2.389888
H 0.986232 -3.435788 3.159664


%chk=000208623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208623

0 1
O 0.369670 -2.718891 0.334456
O -1.419711 2.722729 1.565736
O -2.439323 -1.364967 -2.031680
O 2.667120 -3.248554 0.549543
N 3.714679 1.307475 0.020284
N 0.720260 1.025119 0.515288
N -4.494744 -0.035285 -0.988613
N 1.116298 -3.632432 2.270901
C 2.609048 0.909468 -0.934741
C 2.583251 2.274964 -0.252282
C 1.545898 0.024312 -0.274735
C 1.484403 2.266149 0.823262
C 0.507244 -0.733088 -1.170990
C -0.605566 0.891975 0.201464
C -0.822983 -0.139584 -0.715842
C 5.024369 1.639482 -0.598696
C 0.586114 -2.269292 -1.062159
C -1.707975 1.757183 0.765458
C -2.135632 -0.464432 -1.154913
C -3.060638 1.421490 0.353349
C -3.266065 0.363873 -0.540557
C -4.215234 2.231691 0.904012
C 1.500801 -3.209543 1.019378
H 2.832828 0.801045 -2.002440
H 2.792755 3.194572 -0.811200
H 2.045149 -0.660577 0.432792
H 1.930254 2.200835 1.831295
H 0.809423 3.134406 0.788611
H 0.670797 -0.506560 -2.247261
H 4.950900 2.144917 -1.589610
H 5.596325 0.704044 -0.724828
H 5.580167 2.299676 0.089666
H 1.567589 -2.643590 -1.404370
H -0.235510 -2.717799 -1.642980
H -4.794317 2.731645 0.101352
H -3.822495 3.013411 1.574002
H -4.919602 1.606506 1.489108
H -5.357913 0.414501 -0.696129
H -4.493866 -0.808392 -1.664188
H 0.144269 -3.557177 2.561032
H 1.822464 -4.002303 2.900228


