%chk=000207472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207472

0 1
O -0.832393 -2.111386 -1.155253
O 4.876393 0.406965 -0.012442
N -3.998958 0.158612 0.460148
C -4.393244 1.325330 -0.380750
C -5.143906 -0.652720 0.991935
C -5.484940 1.077718 -1.437741
C -6.398567 0.165996 1.331673
C -6.892583 1.348792 -0.892911
C -7.354359 0.313473 0.140402
C -3.016704 -0.729723 -0.244078
C -1.601932 -0.178574 0.009411
C -0.540758 -1.083551 -0.571472
C 0.882881 -0.674840 -0.415357
C 1.279114 0.452107 0.330418
C 2.620250 0.800214 0.454787
C 1.859414 -1.462699 -1.042441
C 3.586810 -0.016471 -0.196256
C 3.042568 2.007641 1.244578
C 3.214308 -1.142777 -0.940814
C 2.808430 3.299963 0.462856
C 5.960154 -0.374463 -0.613734
C 7.205747 0.395855 -0.177872
C 8.468482 -0.260035 -0.721698
H -4.722724 2.121207 0.326083
H -3.479661 1.721725 -0.874703
H -5.426713 -1.483073 0.307256
H -4.755005 -1.124372 1.925049
H -5.301931 1.729605 -2.312929
H -5.419970 0.041482 -1.820169
H -6.930913 -0.336806 2.163266
H -6.113215 1.161644 1.723965
H -7.613234 1.365423 -1.734303
H -6.929937 2.362027 -0.446771
H -8.357526 0.600898 0.512947
H -7.489574 -0.668912 -0.353247
H -3.071112 -1.768173 0.152153
H -3.200072 -0.814833 -1.336575
H -1.451060 -0.057076 1.104093
H -1.507436 0.842472 -0.411831
H 0.528566 1.070427 0.826887
H 1.545009 -2.341033 -1.617437
H 4.119160 1.925485 1.514094
H 2.495936 2.040255 2.208975
H 3.950523 -1.766444 -1.436231
H 1.750746 3.436007 0.211856
H 3.130433 4.174501 1.038332
H 3.369751 3.298253 -0.479896
H 5.924149 -1.398290 -0.206721
H 5.821670 -0.382886 -1.707334
H 7.130879 1.448220 -0.521941
H 7.239406 0.452776 0.929691
H 8.583325 -1.289394 -0.361351
H 9.362670 0.293524 -0.407794
H 8.475552 -0.289366 -1.817904


%chk=000207472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207472

0 1
O -0.838033 -2.216530 -1.117350
O 4.897582 0.538551 0.016566
N -4.138379 -0.025627 0.483593
C -4.438009 1.283696 -0.147963
C -5.305693 -0.887408 0.819342
C -5.501946 1.304761 -1.289157
C -6.579365 -0.133833 1.266285
C -6.941083 1.499962 -0.753650
C -7.485019 0.325296 0.094616
C -3.081936 -0.809687 -0.204144
C -1.672132 -0.245033 0.050596
C -0.560191 -1.124975 -0.528902
C 0.861194 -0.677399 -0.382553
C 1.231698 0.519586 0.293537
C 2.573757 0.926441 0.423919
C 1.888599 -1.484979 -0.934886
C 3.581788 0.088813 -0.146649
C 2.949917 2.222279 1.123383
C 3.238657 -1.112239 -0.820715
C 3.285171 3.364540 0.126626
C 5.998872 -0.287342 -0.520564
C 7.306261 0.436352 -0.189778
C 8.533540 -0.344087 -0.709926
H -4.766064 1.997841 0.634732
H -3.479654 1.678772 -0.532995
H -5.591049 -1.543118 -0.043847
H -4.979995 -1.569740 1.630356
H -5.266775 2.140832 -1.978292
H -5.432445 0.374783 -1.889972
H -7.167530 -0.828475 1.898184
H -6.306731 0.719813 1.917553
H -7.634134 1.672439 -1.601662
H -6.957151 2.427293 -0.142570
H -8.477667 0.614845 0.495107
H -7.658427 -0.550050 -0.565541
H -3.111758 -1.842536 0.186808
H -3.257036 -0.900205 -1.303166
H -1.527300 -0.137972 1.144689
H -1.571024 0.777633 -0.365488
H 0.459032 1.156886 0.738728
H 1.598392 -2.406571 -1.450304
H 3.829761 2.052127 1.770921
H 2.114395 2.538747 1.775953
H 4.012110 -1.753484 -1.252788
H 2.423158 3.584816 -0.528961
H 3.550677 4.289999 0.669937
H 4.141070 3.081863 -0.510207
H 5.970301 -1.292676 -0.051630
H 5.874333 -0.402201 -1.617383
H 7.278075 1.447680 -0.636469
H 7.373321 0.569961 0.905924
H 8.592577 -1.351925 -0.257811
H 9.468030 0.189235 -0.462447
H 8.498158 -0.467050 -1.808685


