%chk=000203156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203156

0 1
O 3.838761 -0.110454 -0.544128
O -2.692645 -0.195859 -2.250947
O 1.469007 -0.457989 2.835825
O 3.861673 0.085803 1.704908
N -5.197624 -0.184048 0.286350
N -2.442143 -0.540800 0.022461
C -4.699491 -0.678863 -1.030315
C -5.695156 1.230566 0.198425
C -6.248890 -1.103126 0.843506
C -3.194617 -0.425740 -1.169505
C -4.563317 2.193867 -0.148953
C -6.404562 -0.864651 2.345025
C 5.640279 1.522452 -0.516018
C -1.036165 -0.406691 0.149496
C 7.131060 1.749859 -0.791112
C 5.289000 0.038478 -0.573319
C 1.761301 -0.182192 0.510262
C -0.498293 -0.485883 1.449296
C -0.186861 -0.218012 -0.963146
C 0.891300 -0.375300 1.606641
C 1.182292 -0.111497 -0.774578
C 7.492320 3.231904 -0.726645
C 3.211109 -0.052250 0.695948
H -5.202334 -0.208310 -1.908137
H -4.861669 -1.776084 -1.143547
H -6.528217 1.343476 -0.529829
H -6.107130 1.496041 1.199898
H -7.230404 -0.989585 0.333665
H -5.921801 -2.154229 0.675239
H -4.889520 3.234503 -0.035192
H -4.212512 2.077316 -1.182033
H -3.694266 2.050705 0.506856
H -7.046530 -1.629226 2.797239
H -6.848517 0.113687 2.564853
H -5.433884 -0.897820 2.857099
H 5.020657 2.081981 -1.243787
H 5.365964 1.927591 0.480761
H 7.739191 1.186400 -0.055267
H 7.399551 1.343444 -1.786106
H -2.979766 -0.641779 0.899493
H 5.727249 -0.534301 0.263038
H 5.533456 -0.432453 -1.541681
H -1.135202 -0.630115 2.313445
H -0.610508 -0.153651 -1.971676
H 1.844691 0.032892 -1.637588
H 7.272016 3.657177 0.259861
H 8.559274 3.388556 -0.920450
H 6.933616 3.816944 -1.466124
H 0.805554 -0.589133 3.562891


%chk=000203156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203156

0 1
O 3.795781 -0.146754 -0.489280
O -2.832253 -0.649298 -2.610002
O 1.094398 0.611051 2.771480
O 3.661767 0.397506 1.776846
N -5.182995 -0.126600 0.209395
N -2.589829 -0.124789 -0.307040
C -4.830497 -0.269208 -1.227340
C -6.095423 1.023320 0.486225
C -5.646402 -1.417413 0.806086
C -3.304413 -0.381894 -1.466350
C -5.405805 2.388890 0.309761
C -5.484719 -1.477134 2.336398
C 5.792922 1.347402 -0.587575
C -1.194955 -0.076631 -0.103563
C 7.338881 1.405314 -0.571104
C 5.278321 -0.084841 -0.382570
C 1.614038 0.066800 0.451573
C -0.730423 0.231418 1.199878
C -0.252338 -0.319395 -1.141859
C 0.652168 0.304997 1.481835
C 1.116316 -0.241933 -0.845618
C 7.876395 2.837711 -0.781117
C 3.077596 0.135295 0.698813
H -5.179889 0.606884 -1.805299
H -5.300804 -1.159380 -1.693694
H -7.004355 0.972490 -0.160120
H -6.445011 0.931890 1.529713
H -6.707092 -1.624942 0.527348
H -5.036620 -2.222760 0.355480
H -6.119769 3.206308 0.517903
H -5.025465 2.530240 -0.717735
H -4.552661 2.487532 1.004011
H -5.806687 -2.465377 2.711642
H -6.092514 -0.713333 2.852620
H -4.428101 -1.327870 2.622474
H 5.414104 1.737206 -1.552513
H 5.387524 1.994157 0.212987
H 7.711202 1.009765 0.395455
H 7.743242 0.738935 -1.360466
H -3.253305 0.063136 0.476325
H 5.581759 -0.472668 0.606902
H 5.630763 -0.760369 -1.180905
H -1.456351 0.419177 2.003354
H -0.607362 -0.557424 -2.145429
H 1.850332 -0.426093 -1.633569
H 7.510965 3.516121 0.011915
H 8.981243 2.860972 -0.764501
H 7.543013 3.247427 -1.752904
H 0.320604 0.747764 3.376535


