%chk=000179162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179162

0 1
O -1.986507 2.683437 0.710495
O -2.733053 1.495460 -1.064483
O 2.399821 2.438162 -0.270350
C -4.190216 -0.356361 0.973206
C -2.922437 -0.333725 1.847464
C -3.453572 0.961518 1.217830
C -3.876099 -1.145025 -0.300613
C -1.890463 -1.101017 1.093392
C -2.442922 -1.590588 -0.125476
C -2.714712 1.661844 0.132726
C -0.577926 -1.373414 1.440990
C -1.672861 -2.355584 -0.987001
C 0.199242 -2.149653 0.561699
C -0.340135 -2.633057 -0.629334
C -1.157081 3.508142 -0.165322
C 0.171584 2.877983 -0.354555
C 0.440001 1.732505 -1.198126
C 1.371969 3.261666 0.191485
C 1.785937 1.495737 -1.129445
C 2.730436 0.551774 -1.764111
C 3.127156 -0.603054 -0.878531
C 3.178557 -1.900821 -1.408549
C 3.489198 -0.383291 0.459440
C 3.594125 -2.967134 -0.605318
C 3.900223 -1.452911 1.257236
C 3.955965 -2.746682 0.726914
H -5.192907 -0.471596 1.376598
H -2.922923 -0.424100 2.931558
H -3.917416 1.684483 1.910611
H -4.561510 -1.999725 -0.428289
H -3.978698 -0.503974 -1.203949
H -0.148587 -0.990658 2.363510
H -2.080074 -2.730570 -1.921589
H 1.239178 -2.361970 0.813162
H 0.278039 -3.230017 -1.297956
H -1.685807 3.652848 -1.129671
H -1.117154 4.456063 0.404125
H -0.315273 1.189522 -1.741590
H 1.704427 4.018347 0.864427
H 3.658388 1.098190 -2.065309
H 2.283770 0.183416 -2.716739
H 2.896645 -2.083154 -2.443214
H 3.443938 0.626313 0.872496
H 3.636609 -3.972582 -1.020952
H 4.180767 -1.278009 2.294793
H 4.281259 -3.577537 1.349010


%chk=000179162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179162

0 1
O -1.854316 2.786548 0.666846
O -2.507928 1.208141 -0.931665
O 2.560392 2.889633 -0.467425
C -4.032654 -0.280758 1.389369
C -2.598700 -0.523323 1.892829
C -3.064860 0.918444 1.451548
C -4.212034 -1.071111 0.076560
C -1.936236 -1.389976 0.869166
C -2.848253 -1.709669 -0.174493
C -2.485959 1.594828 0.263136
C -0.609739 -1.867560 0.841329
C -2.435486 -2.511102 -1.255293
C -0.198921 -2.683075 -0.241257
C -1.106256 -3.003161 -1.280274
C -1.121225 3.534453 -0.417448
C 0.280834 3.031556 -0.577968
C 0.703699 1.805658 -1.237046
C 1.433931 3.654311 -0.127686
C 2.082420 1.739341 -1.157028
C 3.124452 0.754649 -1.598033
C 3.351743 -0.426145 -0.645047
C 3.652188 -1.708547 -1.167940
C 3.302933 -0.258131 0.761660
C 3.901596 -2.801889 -0.306859
C 3.547773 -1.349340 1.625292
C 3.849019 -2.626155 1.095196
H -4.875428 -0.239217 2.085098
H -2.341052 -0.623392 2.950722
H -3.204438 1.597425 2.297905
H -4.999754 -1.837831 0.209436
H -4.510776 -0.424227 -0.767368
H 0.102672 -1.605471 1.631605
H -3.129607 -2.753343 -2.068437
H 0.830853 -3.055306 -0.277324
H -0.775476 -3.635701 -2.112298
H -1.699281 3.423476 -1.351397
H -1.147591 4.577705 -0.067053
H 0.042316 1.068497 -1.688512
H 1.630511 4.580886 0.405201
H 4.078456 1.303286 -1.728730
H 2.848638 0.364492 -2.594528
H 3.688058 -1.854475 -2.255060
H 3.069431 0.728345 1.178326
H 4.134158 -3.786483 -0.728662
H 3.508589 -1.203233 2.711028
H 4.040208 -3.471850 1.765274


