%chk=000185979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185979

0 1
O 1.379297 -2.842733 -0.065284
O -2.739135 -1.861677 0.803961
O -1.999266 2.341043 -1.036870
N 1.603380 -0.627076 -0.606638
N -2.479588 0.284832 -0.104796
N -0.642768 -1.263364 0.139201
N -0.224152 0.879685 -0.830035
C 3.126732 1.167974 0.413872
C 2.526256 0.522336 -0.876012
C 4.126036 2.238833 -0.067373
C 2.023702 1.833061 1.246606
C 3.865038 0.129173 1.273036
C 0.222364 -0.312196 -0.430428
C -3.942374 0.656121 0.054022
C 2.103103 -1.966486 -0.505139
C -2.053824 -0.990823 0.314375
C -1.571341 1.265918 -0.696455
C -4.322674 0.632903 1.533094
C -4.807345 -0.286185 -0.780510
C 3.490581 -2.233964 -0.987244
H 3.334677 0.184063 -1.555214
H 1.971345 1.311014 -1.448542
H 4.944388 1.811720 -0.653579
H 3.635753 3.004265 -0.680616
H 4.579035 2.762795 0.782657
H 2.440752 2.422818 2.069548
H 1.409551 2.511576 0.637224
H 1.341840 1.099585 1.688230
H 4.409373 0.615362 2.092043
H 4.598283 -0.443159 0.691311
H 3.171108 -0.579120 1.739564
H -4.035872 1.707158 -0.343992
H -0.311927 -2.219116 0.415154
H -5.358025 0.963535 1.674643
H -4.245279 -0.379251 1.959273
H -3.681985 1.291333 2.130573
H -4.512746 -0.284235 -1.836273
H -5.862268 0.007127 -0.732569
H -4.743609 -1.325191 -0.422119
H 4.256167 -1.670519 -0.419682
H 3.727019 -3.307191 -0.868763
H 3.618998 -1.993243 -2.053653


%chk=000185979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185979

0 1
O 1.282852 -2.952020 0.048074
O -2.829294 -1.942868 0.703519
O -1.938499 2.402629 -0.901584
N 1.583689 -0.676630 -0.470354
N -2.458084 0.255466 -0.087336
N -0.671281 -1.290467 0.134607
N -0.179957 0.884517 -0.691416
C 3.161246 1.191482 0.418995
C 2.513551 0.452614 -0.802831
C 3.946143 2.386342 -0.191642
C 2.086807 1.733032 1.396950
C 4.143410 0.283525 1.203734
C 0.202000 -0.331639 -0.336418
C -3.911273 0.640543 0.026548
C 2.028797 -2.020539 -0.398566
C -2.061282 -1.042564 0.277834
C -1.531402 1.255966 -0.585331
C -4.386477 0.606342 1.495341
C -4.789328 -0.208679 -0.918171
C 3.410004 -2.357794 -0.933636
H 3.308520 0.062713 -1.459371
H 1.914181 1.180917 -1.372443
H 4.708402 2.045190 -0.918633
H 3.265765 3.087060 -0.709893
H 4.468707 2.947760 0.603972
H 2.573029 2.335110 2.187052
H 1.349250 2.364937 0.874934
H 1.541590 0.910096 1.896225
H 4.556767 0.838587 2.065736
H 4.998204 -0.035311 0.576400
H 3.640633 -0.616294 1.605450
H -3.919259 1.686530 -0.324754
H -0.289099 -2.234915 0.346333
H -5.412167 1.013885 1.550209
H -4.396571 -0.421670 1.891897
H -3.737801 1.233000 2.133275
H -4.427847 -0.139653 -1.959767
H -5.824059 0.178264 -0.891576
H -4.802736 -1.266654 -0.610676
H 4.216616 -1.846577 -0.386591
H 3.538473 -3.444652 -0.827557
H 3.498377 -2.088881 -2.001938


