%chk=000186258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186258

0 1
O -0.938947 1.190858 2.515875
O -1.650553 2.145999 0.592660
C -4.172077 0.264078 1.063743
C -3.217626 -0.462602 0.115013
C -2.679155 0.097732 1.438754
C -4.677721 1.626749 0.659211
C -5.164618 -0.524989 1.883511
C -3.266939 -1.926955 -0.085569
C -1.752280 1.248532 1.402801
C -4.122559 -2.536877 -0.922193
C -4.106908 -4.023012 -1.108343
C -5.136538 -1.796407 -1.736677
C 0.091365 2.216485 2.666237
C 1.335821 1.793491 1.940859
C 2.393280 1.190590 2.635354
C 1.444453 2.001635 0.557307
C 3.669173 1.030652 0.575369
C 3.554504 0.813784 1.956993
C 2.603180 1.623384 -0.120600
C 4.918075 0.620826 -0.156314
C 4.794977 -0.821040 -0.674859
C 6.059409 -1.257664 -1.424579
C 5.934140 -2.697772 -1.941859
C 7.189410 -3.140265 -2.690400
H -2.918596 0.077366 -0.800880
H -2.438853 -0.612203 2.246286
H -5.534838 1.545813 -0.019218
H -3.908440 2.224101 0.140844
H -4.996262 2.212089 1.530646
H -4.825342 -1.552087 2.073563
H -6.130731 -0.599950 1.368788
H -5.340541 -0.049971 2.856714
H -2.530603 -2.492698 0.484585
H -5.033635 -4.476883 -0.730989
H -4.021840 -4.289266 -2.170943
H -3.272721 -4.509639 -0.586885
H -4.687443 -1.430780 -2.671596
H -5.527432 -0.917911 -1.203430
H -5.995745 -2.420388 -2.009379
H -0.304428 3.182852 2.298677
H 0.208028 2.245222 3.765364
H 2.311422 1.009575 3.706058
H 0.608564 2.452291 0.012718
H 4.370726 0.345600 2.503162
H 2.677772 1.785615 -1.194237
H 5.803266 0.710888 0.505244
H 5.116104 1.311094 -1.001355
H 4.598233 -1.505790 0.173228
H 3.910790 -0.903635 -1.337120
H 6.941733 -1.173509 -0.761474
H 6.254150 -0.571564 -2.271203
H 5.052604 -2.783184 -2.607232
H 5.741289 -3.386174 -1.095747
H 7.387536 -2.502185 -3.559116
H 7.090785 -4.168881 -3.054948
H 8.076680 -3.103620 -2.048216


%chk=000186258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186258

0 1
O -1.099587 1.283111 2.654938
O -1.977650 2.165607 0.672604
C -4.505964 0.357548 1.439456
C -3.631432 -0.391147 0.419827
C -2.979861 0.188117 1.725475
C -5.053174 1.726162 1.038629
C -5.440701 -0.429915 2.357887
C -3.682411 -1.859483 0.203345
C -2.014380 1.303361 1.591196
C -3.411944 -2.526097 -0.959204
C -3.512535 -4.041457 -1.023417
C -2.998243 -1.864125 -2.261262
C -0.029089 2.348782 2.635754
C 1.209586 1.885482 1.903926
C 2.255207 1.227926 2.598959
C 1.354300 2.108961 0.509972
C 3.563929 1.015297 0.523625
C 3.414185 0.798294 1.917683
C 2.514748 1.678542 -0.166058
C 4.791315 0.512254 -0.220523
C 4.562687 -0.879728 -0.874884
C 5.811053 -1.407144 -1.615952
C 5.585566 -2.784594 -2.280567
C 6.841274 -3.317532 -3.003982
H -3.381476 0.216387 -0.457687
H -2.723091 -0.528687 2.510468
H -5.994049 1.600066 0.470203
H -4.337421 2.286971 0.415396
H -5.277410 2.335941 1.934724
H -4.993266 -1.373144 2.716000
H -6.379280 -0.680321 1.827990
H -5.701485 0.175222 3.246001
H -3.965087 -2.465692 1.076818
H -4.244704 -4.360450 -1.792371
H -2.540259 -4.491687 -1.308083
H -3.820536 -4.476241 -0.056557
H -2.021394 -2.260312 -2.603338
H -2.907651 -0.768923 -2.186828
H -3.728450 -2.092067 -3.063429
H -0.463089 3.251944 2.173397
H 0.165232 2.514086 3.707357
H 2.159318 1.053259 3.677910
H 0.546644 2.611199 -0.034218
H 4.216706 0.295400 2.471607
H 2.614344 1.864301 -1.242932
H 5.652632 0.440097 0.472512
H 5.077673 1.230897 -1.014153
H 4.260290 -1.602751 -0.090542
H 3.709633 -0.812350 -1.580133
H 6.659299 -1.479792 -0.903003
H 6.119027 -0.673124 -2.390301
H 4.746087 -2.707710 -3.001365
H 5.265107 -3.513021 -1.507949
H 7.167079 -2.620556 -3.799286
H 6.651941 -4.300491 -3.473365
H 7.684855 -3.437273 -2.298069


