%chk=000218454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218454

0 1
O -3.271170 -1.315648 2.135394
O -5.675304 1.087722 -2.216562
N 2.546597 -1.192085 -0.343272
N 2.042934 -2.437508 -0.633665
N -0.957123 -0.387682 -0.098995
N -1.955065 -1.135264 -0.216588
C 1.524102 -0.262656 -0.093641
C 1.726714 1.133217 0.290125
C 0.316228 -0.980977 -0.255924
C 3.975851 -0.977632 -0.358230
C 0.696667 -2.334082 -0.585519
C 2.616204 1.469285 1.325553
C 0.996629 2.140877 -0.361793
C 4.495476 0.201877 -0.917318
C 4.822532 -1.964759 0.173707
C 2.782298 2.806285 1.691486
C 1.170888 3.476378 0.010620
C 5.878276 0.395779 -0.919096
C 6.202772 -1.752579 0.155759
C 2.063623 3.810711 1.033394
C -3.259558 -0.533274 -0.081197
C 6.731483 -0.575328 -0.383738
C -4.001098 -0.718416 1.126807
C -3.865818 0.086752 -1.167701
C -5.214180 0.497265 -1.055245
C -5.327273 -0.303214 1.215545
C -5.947641 0.309405 0.114492
C -3.944875 -1.548998 3.394233
C -7.046282 1.549086 -2.232869
H 0.025432 -3.161651 -0.771299
H 3.169516 0.687860 1.845808
H 0.284050 1.875490 -1.144865
H 3.833422 0.955723 -1.345160
H 4.404920 -2.888168 0.580880
H 3.469868 3.066443 2.494830
H 0.602429 4.256469 -0.494216
H 6.292317 1.309228 -1.346366
H 6.869025 -2.512598 0.564392
H 2.195385 4.852185 1.322473
H 7.808861 -0.416476 -0.391676
H -3.330225 0.255495 -2.101411
H -5.898287 -0.443598 2.129472
H -6.982187 0.625136 0.196639
H -4.786625 -2.233340 3.257085
H -4.253140 -0.601661 3.844929
H -3.147096 -2.022259 3.982797
H -7.732709 0.709808 -2.089443
H -7.132379 1.956893 -3.248648
H -7.194262 2.331584 -1.483382


%chk=000218454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218454

0 1
O -3.924567 -2.772970 1.255010
O -4.901755 2.554450 -0.334890
N 2.639632 -0.946600 0.543535
N 2.183392 -2.147400 1.146683
N -0.887828 -0.295642 0.346867
N -1.844983 -1.116970 0.726596
C 1.587398 -0.107303 0.177141
C 1.716153 1.269878 -0.333119
C 0.400083 -0.813130 0.531380
C 4.052781 -0.835520 0.307151
C 0.836450 -2.048791 1.126098
C 2.701093 2.160907 0.180075
C 0.804282 1.747797 -1.314642
C 4.548620 -0.249436 -0.882546
C 4.942079 -1.379831 1.265009
C 2.781256 3.487116 -0.291205
C 0.890126 3.075310 -1.784533
C 5.942387 -0.178352 -1.091223
C 6.332883 -1.309624 1.040357
C 1.879843 3.949923 -1.279200
C -3.159050 -0.583812 0.576147
C 6.840311 -0.703426 -0.132906
C -4.253134 -1.469604 0.873952
C -3.433751 0.748087 0.177339
C -4.757946 1.213190 0.068506
C -5.578706 -0.987652 0.761752
C -5.837660 0.342290 0.362823
C -5.029790 -3.686494 1.554241
C -6.262938 3.079464 -0.443307
H 0.214420 -2.844375 1.528893
H 3.391576 1.821045 0.958802
H 0.032285 1.074691 -1.697729
H 3.857909 0.136428 -1.637068
H 4.532164 -1.859191 2.157682
H 3.541625 4.161277 0.118191
H 0.182016 3.426776 -2.542968
H 6.324278 0.276294 -2.011709
H 7.019896 -1.730133 1.782751
H 1.944772 4.980679 -1.645078
H 7.920998 -0.649075 -0.302761
H -2.595446 1.416924 -0.036924
H -6.425965 -1.642401 0.983617
H -6.875314 0.681434 0.290767
H -5.682938 -3.834313 0.671669
H -5.635343 -3.324589 2.408537
H -4.545746 -4.637367 1.820221
H -6.852637 2.525946 -1.201163
H -6.143406 4.125614 -0.761453
H -6.789602 3.045579 0.531233


