%chk=000185453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185453

0 1
O 1.341202 -1.342261 -0.911543
O 3.789724 -0.959684 0.550143
O -3.409546 1.467937 -1.202814
O -5.802097 2.022413 -0.122587
O -2.373722 -0.983722 -1.092689
N -0.481358 1.185727 -0.180084
C 1.601350 -0.109801 -0.149458
C 3.124619 0.148900 -0.147532
C 0.796261 0.945953 -0.916984
C 3.515020 1.369060 0.643535
C 2.167704 -2.401023 -0.581137
C 3.377213 -2.209704 0.125446
C -1.236040 2.342219 -0.755992
C 3.908529 2.535399 -0.029453
C 3.485825 1.342264 2.044632
C 1.784758 -3.677651 -0.999053
C 4.193695 -3.296457 0.447313
C -2.684186 2.320739 -0.257126
C 4.256300 3.673982 0.701763
C 3.840430 2.483306 2.770120
C 2.611937 -4.761354 -0.681732
C 3.795356 -4.574682 0.040577
C 4.221671 3.649930 2.100456
C -4.145843 0.457040 -0.619437
C -5.450096 0.696901 -0.123886
C -3.655326 -0.870139 -0.620691
C -6.252206 -0.362019 0.329772
C -4.455856 -1.933007 -0.171820
C -5.743470 -1.662138 0.293124
C -7.137102 2.362595 0.330222
C -1.731382 -2.282594 -1.024013
H 1.224068 -0.282445 0.884513
H 3.532063 0.155031 -1.184124
H 1.365660 1.901478 -0.966413
H 0.647438 0.600666 -1.967636
H -1.072443 0.336270 -0.250564
H -0.735033 3.277186 -0.420699
H -1.245881 2.350176 -1.870725
H 3.949325 2.558253 -1.116829
H 3.198749 0.424662 2.560432
H 0.865615 -3.814792 -1.561725
H 5.117430 -3.134376 0.999161
H -2.783585 1.955087 0.776358
H -3.173338 3.305461 -0.355963
H 4.558279 4.581263 0.181065
H 3.817996 2.461533 3.858699
H 2.325739 -5.762095 -1.001435
H 4.421117 -5.431535 0.285731
H 4.493814 4.539055 2.666679
H -7.254484 -0.185342 0.701547
H -4.088255 -2.952567 -0.188108
H -6.368377 -2.487120 0.639829
H -7.140254 3.453175 0.202689
H -7.264325 2.087476 1.380721
H -7.887736 1.892157 -0.311352
H -0.695888 -2.024734 -1.313259
H -2.191947 -2.961493 -1.745165
H -1.758114 -2.679260 -0.006100


%chk=000185453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185453

0 1
O 1.288387 -0.953623 -0.907929
O 3.904861 -0.931539 0.353765
O -3.201619 0.957890 -1.047666
O -5.808055 1.834141 -0.766303
O -2.433445 -1.486444 -0.251265
N -0.485429 1.243202 -0.170951
C 1.732802 0.176400 -0.038204
C 3.272985 0.322008 -0.154499
C 0.937608 1.396381 -0.506050
C 3.835130 1.463213 0.664984
C 2.073330 -2.120248 -0.810976
C 3.343314 -2.114884 -0.174137
C -1.325094 2.386858 -0.570124
C 4.240957 2.663719 0.033602
C 3.929528 1.353047 2.074958
C 1.573702 -3.311774 -1.377147
C 4.082592 -3.309712 -0.062509
C -2.784400 2.118201 -0.210112
C 4.723153 3.748167 0.800376
C 4.416533 2.434236 2.840988
C 2.321104 -4.505347 -1.276041
C 3.569019 -4.507678 -0.605436
C 4.810377 3.636423 2.207227
C -4.180657 0.109853 -0.514519
C -5.541570 0.504691 -0.397417
C -3.801746 -1.208957 -0.136733
C -6.518279 -0.412829 0.065386
C -4.776298 -2.131649 0.321502
C -6.122851 -1.721706 0.413537
C -7.207095 2.265998 -0.746939
C -1.970326 -2.803253 0.194779
H 1.466122 -0.066224 1.010335
H 3.536393 0.435757 -1.226084
H 1.329247 2.290890 0.015276
H 1.129912 1.539671 -1.601132
H -0.886185 0.357284 -0.516970
H -0.989664 3.296986 -0.030749
H -1.267766 2.613649 -1.664246
H 4.185372 2.750070 -1.058726
H 3.647399 0.412205 2.558902
H 0.609394 -3.280380 -1.895237
H 5.055943 -3.276852 0.437204
H -2.873797 1.851116 0.860198
H -3.435280 2.980522 -0.443536
H 5.036782 4.672273 0.302294
H 4.491730 2.340301 3.930097
H 1.930325 -5.427742 -1.718143
H 4.147009 -5.433409 -0.517880
H 5.188498 4.474645 2.803106
H -7.568312 -0.120664 0.152159
H -4.495430 -3.149036 0.606779
H -6.876940 -2.433235 0.767170
H -7.190257 3.307173 -1.101416
H -7.629127 2.227624 0.276475
H -7.826625 1.649919 -1.427010
H -0.878544 -2.773790 0.073054
H -2.398512 -3.611926 -0.429461
H -2.225205 -2.980312 1.257794


