%chk=000180174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180174

0 1
O 2.138672 -2.484290 2.122449
O 2.459426 -3.482226 -0.007917
O 0.409085 1.783698 1.629604
O 0.941123 3.905467 0.971193
O -3.752178 -0.935637 -0.374265
N 2.211201 2.079611 0.244737
C 3.263606 2.924769 -0.439422
C 2.299116 0.643563 0.143887
C 2.626110 3.738456 -1.565591
C 3.951045 3.821387 0.591033
C 2.170236 -0.138212 1.327376
C 2.245232 -1.498850 1.153833
C 2.508146 0.060042 -1.112209
C 1.172936 2.713297 0.933891
C 2.452334 -2.095035 -0.126829
C 2.595342 -1.341268 -1.268710
C 2.262980 -3.764412 1.416538
C -0.880970 2.255773 2.127550
C -1.923012 1.937923 1.088966
C -2.277723 0.601376 0.858326
C -2.526107 2.969513 0.358066
C -3.243341 0.336183 -0.116093
C -3.500668 2.672407 -0.603355
C -3.870960 1.352295 -0.855486
C -2.929108 -2.058914 -0.269836
C -1.566877 -2.060049 -0.586669
C -3.626302 -3.224836 0.084281
C -0.886618 -3.280774 -0.547766
C -2.921604 -4.428158 0.111016
C -1.556002 -4.458794 -0.200718
H 4.018875 2.211300 -0.866705
H 1.880019 4.449061 -1.171407
H 3.377143 4.325861 -2.104073
H 2.107861 3.104458 -2.292659
H 4.375815 3.243282 1.419395
H 3.247768 4.548923 1.028174
H 4.763517 4.395765 0.133063
H 1.991926 0.321780 2.299375
H 2.587053 0.684562 -2.001742
H 2.755402 -1.791161 -2.245078
H 3.164672 -4.266512 1.790528
H 1.310474 -4.301140 1.524989
H -0.994938 1.658510 3.052705
H -0.816208 3.333263 2.375542
H -1.808217 -0.204452 1.420361
H -2.231263 4.004810 0.528164
H -3.969559 3.481020 -1.164950
H -4.623737 1.097085 -1.598132
H -1.052228 -1.143054 -0.866521
H -4.686594 -3.173623 0.319933
H 0.177529 -3.312588 -0.795845
H -3.439086 -5.349393 0.378043
H -1.017944 -5.403265 -0.181239


%chk=000180174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180174

0 1
O 2.657698 -2.538873 2.199163
O 2.721919 -3.543245 0.020089
O 0.357022 1.723922 1.661206
O 0.918531 3.913939 1.018965
O -3.895034 -0.874803 -0.510699
N 2.198600 2.069665 0.307054
C 3.201075 2.940567 -0.413159
C 2.337164 0.632563 0.204388
C 2.560686 3.742564 -1.569048
C 3.964812 3.846944 0.578370
C 2.447733 -0.166749 1.379687
C 2.588185 -1.540272 1.194322
C 2.395909 0.040901 -1.083286
C 1.149460 2.674291 0.985871
C 2.638810 -2.129662 -0.087080
C 2.552425 -1.361934 -1.249356
C 2.934555 -3.804487 1.470275
C -0.971852 2.219639 2.146879
C -2.028257 1.976780 1.089583
C -2.443151 0.649749 0.816357
C -2.579318 3.053993 0.354030
C -3.385132 0.411012 -0.206425
C -3.546743 2.801506 -0.646841
C -3.951366 1.481660 -0.936200
C -3.111754 -2.048454 -0.349144
C -1.717310 -2.093341 -0.587488
C -3.835010 -3.219569 -0.031901
C -1.046829 -3.333912 -0.490580
C -3.152478 -4.452182 0.054516
C -1.756808 -4.514784 -0.170554
H 3.921300 2.219611 -0.841719
H 1.836218 4.474883 -1.178475
H 3.348493 4.285677 -2.122461
H 2.037859 3.076964 -2.279742
H 4.433960 3.245656 1.377655
H 3.283321 4.581673 1.036581
H 4.762417 4.392968 0.042244
H 2.389219 0.278883 2.373625
H 2.295576 0.674311 -1.969743
H 2.585084 -1.819229 -2.241276
H 3.990495 -4.091541 1.632699
H 2.220526 -4.573192 1.803142
H -1.143478 1.619195 3.054894
H -0.878929 3.288753 2.401315
H -2.022214 -0.182373 1.390120
H -2.240868 4.075730 0.556311
H -3.980273 3.633916 -1.211473
H -4.692253 1.262122 -1.710710
H -1.163911 -1.186220 -0.849615
H -4.913773 -3.146477 0.135612
H 0.032523 -3.375635 -0.673439
H -3.711965 -5.361961 0.298802
H -1.229469 -5.472345 -0.103536


