%chk=000196288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196288

0 1
O 0.101778 -0.380804 1.941162
O 3.316346 -2.391647 -1.446214
O -2.798491 2.074690 -0.753892
O 1.225379 2.209444 -1.734256
O 2.024921 4.274798 -1.425299
O -4.864949 -1.725947 0.211579
O 4.606922 1.085593 0.362794
O 6.664390 0.483918 -0.273224
N 0.956643 -0.348098 -0.182040
N -1.764424 1.581926 1.216296
N 3.641049 -1.390030 0.582019
N -5.268787 1.263762 0.068026
C -0.426013 1.568177 0.587066
C 1.317387 -1.784597 -0.175268
C 0.464287 2.673112 1.186788
C 0.517565 -2.575303 -1.233816
C 0.201342 0.183668 0.864783
C 1.828032 2.767607 0.498661
C -0.952688 -2.421472 -0.968889
C 2.831634 -1.879356 -0.455667
C -2.898951 1.757383 0.423016
C -4.275247 1.668872 1.115327
C -1.660093 -1.357575 -1.549824
C -1.607869 -3.286065 -0.073642
C 1.724438 3.219298 -0.928468
C -4.334942 0.657195 2.256121
C -2.981076 -1.099388 -1.187267
C -2.932208 -3.061015 0.289547
C 5.088877 -1.274158 0.374528
C -3.595716 -1.942835 -0.249191
C 5.574064 0.133192 0.100142
H -0.547164 1.745681 -0.527386
H 1.094752 -2.215286 0.847136
H 0.615567 2.493930 2.273041
H -0.069453 3.645872 1.117295
H 0.787140 -2.241950 -2.258038
H 0.828256 -3.641348 -1.207754
H 0.973703 0.117994 -1.096297
H -1.817136 1.176709 2.154396
H 2.469142 3.492820 1.051323
H 2.373220 1.792493 0.546997
H -4.485778 2.697430 1.522728
H -1.175936 -0.713056 -2.282814
H -1.071733 -4.133253 0.353738
H 3.249321 -0.800535 1.317149
H -5.358534 0.557496 2.644626
H -3.696898 0.936135 3.100541
H -4.047372 -0.356027 1.923297
H -3.516620 -0.253045 -1.613724
H -3.455327 -3.713360 0.984141
H 5.630354 -1.666004 1.273551
H 5.404682 -1.930302 -0.489434
H -6.199644 1.579080 0.330729
H -5.039853 1.699782 -0.831469
H 1.133331 2.490830 -2.686436
H -5.216718 -0.814591 -0.067660
H 4.942701 2.007665 0.180026


%chk=000196288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196288

0 1
O 0.223553 -0.355364 1.882710
O 3.440073 -2.091190 -1.652228
O -3.011824 2.425137 -0.435052
O 1.186907 2.109938 -2.060693
O 1.679125 4.365952 -1.839830
O -4.869106 -1.463335 0.055090
O 4.659803 0.985787 0.809740
O 6.821634 0.174005 1.058851
N 0.902000 -0.327906 -0.350861
N -1.731607 1.458796 1.250486
N 3.563426 -1.514386 0.603534
N -5.234255 1.112631 0.462290
C -0.468564 1.547428 0.496385
C 1.331785 -1.739682 -0.390498
C 0.387114 2.762692 0.945140
C 0.559383 -2.520711 -1.497631
C 0.261955 0.206025 0.736035
C 1.730457 2.921649 0.170758
C -0.937218 -2.374302 -1.270761
C 2.865070 -1.808714 -0.559650
C -2.926528 1.833962 0.692232
C -4.220957 1.533426 1.491822
C -1.654551 -1.291742 -1.840431
C -1.623491 -3.206555 -0.347287
C 1.548356 3.252147 -1.297050
C -4.102411 0.486723 2.615294
C -2.974930 -0.991416 -1.446675
C -2.945661 -2.927037 0.052909
C 5.015905 -1.431011 0.612942
C -3.618213 -1.780183 -0.450542
C 5.611740 -0.045299 0.847797
H -0.735177 1.660206 -0.567278
H 1.060050 -2.153865 0.598816
H 0.626943 2.654051 2.019401
H -0.223806 3.676335 0.828213
H 0.872663 -2.140822 -2.487475
H 0.882685 -3.576907 -1.447223
H 0.935699 0.226934 -1.215864
H -1.693562 0.869225 2.089815
H 2.290897 3.761989 0.613615
H 2.337964 2.003742 0.267993
H -4.519878 2.507156 1.941134
H -1.170225 -0.661836 -2.598487
H -1.104758 -4.070414 0.089014
H 3.035216 -1.237462 1.434877
H -5.092683 0.310876 3.072311
H -3.435140 0.842800 3.421708
H -3.740955 -0.481873 2.232026
H -3.501233 -0.138963 -1.890600
H -3.465174 -3.557172 0.782082
H 5.465025 -2.103308 1.367466
H 5.361763 -1.782241 -0.379343
H -6.195696 1.211520 0.817850
H -5.098452 1.695954 -0.382375
H 1.070206 2.378511 -3.012547
H -5.035240 -0.414436 0.108425
H 5.131501 1.852039 0.952220


