%chk=000236467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236467

0 1
O -4.010584 1.454880 0.854960
O 3.894849 1.595339 0.985778
N -0.017108 -0.490632 -0.389152
N -2.873517 0.015319 -0.493099
N 3.746026 -0.362560 -0.173252
C -0.993981 -1.540229 0.052629
C -0.556210 0.879475 -0.095514
C -2.318471 -1.341842 -0.718709
C -1.891349 1.082004 -0.839607
C 1.317255 -0.692609 0.261491
C 2.383101 -0.070978 -0.670410
C -3.837179 0.299858 0.498892
C -4.695655 -0.832042 0.990752
C 4.408581 0.535736 0.671912
C 5.774673 0.095898 1.121558
H -1.182422 -1.528396 1.146945
H -0.571008 -2.536503 -0.198786
H 0.183332 1.627934 -0.457000
H -0.694828 1.069302 0.991307
H -2.130777 -1.449034 -1.814682
H -3.048589 -2.127008 -0.440921
H -2.322701 2.079716 -0.586547
H -1.731795 1.052971 -1.940411
H 1.392017 -0.242699 1.275482
H 1.515104 -1.777954 0.384240
H 2.273294 -0.467090 -1.703728
H 2.242197 1.035876 -0.727670
H 4.132937 -1.269507 -0.397629
H -5.491186 -0.432740 1.642674
H -4.128029 -1.558167 1.584084
H -5.193529 -1.364994 0.170394
H 6.226008 0.878193 1.755174
H 5.744878 -0.822668 1.719795
H 6.459963 -0.066145 0.279751


%chk=000236467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236467

0 1
O -4.381117 1.569095 0.511005
O 3.934363 1.649090 0.963095
N 0.018410 -0.536683 -0.241480
N -2.807807 0.016328 -0.212404
N 3.823042 -0.340231 -0.234098
C -0.947578 -1.568321 0.206817
C -0.484752 0.823095 0.097129
C -2.316619 -1.348587 -0.474136
C -1.844405 1.077094 -0.578002
C 1.399442 -0.782495 0.235731
C 2.444416 -0.114894 -0.693482
C -4.050972 0.355973 0.318094
C -5.009053 -0.787944 0.659948
C 4.483082 0.571248 0.581884
C 5.908343 0.174449 0.969519
H -1.090491 -1.553341 1.318234
H -0.561473 -2.565838 -0.074905
H 0.238222 1.579394 -0.253895
H -0.593825 0.947395 1.203402
H -2.191388 -1.490683 -1.567567
H -3.039213 -2.093640 -0.107417
H -2.275357 2.040126 -0.259875
H -1.710159 1.085842 -1.678309
H 1.562725 -0.416619 1.278009
H 1.572356 -1.876297 0.240530
H 2.320608 -0.504668 -1.719648
H 2.290606 0.977096 -0.713401
H 4.298138 -1.203591 -0.501373
H -5.936120 -0.334529 1.039708
H -4.597213 -1.454262 1.440133
H -5.251674 -1.403928 -0.225225
H 6.341646 0.974217 1.587105
H 5.916739 -0.766474 1.550389
H 6.542374 0.031288 0.075188


