%chk=000191245.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191245

0 1
O 7.190244 -0.099498 0.273332
O -5.470103 1.261909 0.954246
O -5.250202 -1.577492 -1.034496
N -4.934653 0.501314 -0.117652
C 0.789411 0.647330 -0.173189
C 1.564938 -0.318015 0.353969
C 1.337327 1.880559 -0.847558
C -0.691461 0.580997 -0.129928
C 1.012651 -1.541700 1.042546
C 3.045200 -0.257393 0.303478
C -1.397324 1.252037 0.880664
C -1.395534 -0.140578 -1.106809
C 1.266443 1.764864 -2.369806
C 1.003852 -2.750623 0.107678
C 3.766804 0.206322 1.419338
C 3.728256 -0.678198 -0.846379
C -3.485575 0.488513 -0.070123
C -2.790510 1.205563 0.918394
C -2.788835 -0.190908 -1.085683
C 5.157286 0.254510 1.392758
C 5.124417 -0.642078 -0.897064
C 5.816411 -0.174287 0.227655
C -5.701851 -0.720467 -0.308302
C -7.062550 -0.743760 0.306367
H 2.387030 2.062785 -0.535169
H 0.767614 2.771741 -0.511028
H 1.618974 -1.768323 1.944090
H -0.015571 -1.350720 1.415310
H -0.853453 1.808498 1.642961
H -0.847547 -0.666974 -1.888279
H 1.666653 2.662974 -2.852713
H 0.232879 1.635583 -2.713798
H 1.844672 0.907107 -2.731765
H 0.375043 -2.569435 -0.772036
H 0.611718 -3.638730 0.615685
H 2.013060 -2.989729 -0.247942
H 3.230043 0.531761 2.310695
H 3.164732 -1.036329 -1.708166
H -3.338720 1.715064 1.710899
H -3.333018 -0.763592 -1.842221
H 5.737616 0.609847 2.240811
H 5.652456 -0.968639 -1.786003
H 7.606576 -0.413582 -0.564851
H -7.047607 -0.430092 1.363406
H -7.751020 -0.061876 -0.215286
H -7.495515 -1.754653 0.252591
H -5.711258 2.143192 0.514876


%chk=000191245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191245

0 1
O 7.371395 -0.244690 -0.047195
O -5.644898 1.538395 0.488732
O -5.414353 -1.909188 -0.509136
N -5.001856 0.323973 0.006900
C 0.795875 0.620291 -0.075964
C 1.628643 -0.368908 0.407405
C 1.316178 1.930800 -0.670558
C -0.699678 0.512493 -0.023798
C 1.119566 -1.599389 1.160644
C 3.122028 -0.302572 0.266663
C -1.492665 1.539775 0.555820
C -1.393128 -0.590264 -0.594082
C 0.986566 2.105247 -2.176437
C 1.379624 -2.934417 0.414436
C 3.972783 -0.404803 1.404492
C 3.744159 -0.193907 -1.006294
C -3.566089 0.354270 0.006478
C -2.898438 1.466269 0.585485
C -2.798348 -0.684119 -0.589432
C 5.375295 -0.375589 1.286653
C 5.148526 -0.172280 -1.145121
C 5.965301 -0.260270 0.007020
C -5.867214 -0.772364 -0.186764
C -7.349632 -0.488517 0.000426
H 2.405055 2.014418 -0.515399
H 0.855067 2.777127 -0.120829
H 1.637594 -1.651133 2.140510
H 0.043671 -1.498215 1.381275
H -1.004222 2.402163 1.023422
H -0.816961 -1.390223 -1.071506
H 1.345557 3.084048 -2.544853
H -0.102343 2.049944 -2.355295
H 1.466412 1.315217 -2.782871
H 0.847562 -2.959198 -0.554313
H 1.030227 -3.792704 1.017052
H 2.456600 -3.073022 0.210884
H 3.529964 -0.485516 2.403700
H 3.116853 -0.143823 -1.902745
H -3.478516 2.248623 1.081067
H -3.301649 -1.547722 -1.024868
H 6.023790 -0.439755 2.165445
H 5.599769 -0.095185 -2.143269
H 7.685859 -0.163698 -0.981736
H -7.559749 -0.101988 1.011678
H -7.712469 0.268096 -0.718366
H -7.891142 -1.431892 -0.163087
H -5.626571 2.169003 -0.286764


