%chk=000183487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183487

0 1
O -1.728462 -1.471560 -0.868142
O -1.652182 2.185034 0.584515
O -3.058617 -2.253620 0.782733
O 2.423726 0.624404 1.005360
C -3.426093 -0.000609 -0.188142
C -4.846355 -0.146524 -0.797788
C -3.430441 0.756966 1.149784
C -4.760974 -0.820056 -2.172129
C -5.803675 -0.906142 0.123142
C -2.788358 -1.357166 0.020465
C -2.023325 1.189435 1.566555
C -0.866163 -2.635179 -0.752459
C -0.312525 2.714266 0.769849
C 0.328520 -2.281090 0.092570
C -0.076306 3.553261 -0.473668
C 0.828829 -0.972775 0.078918
C 0.945371 -3.266200 0.878832
C 1.946747 -0.689595 0.866934
C 2.063865 -2.948636 1.656872
C 2.584225 -1.652216 1.658124
C 2.939100 1.281300 -0.107607
C 3.141477 0.694234 -1.359979
C 3.276571 2.619419 0.165116
C 3.694253 1.484807 -2.373118
C 3.828136 3.379406 -0.864095
C 4.034966 2.818589 -2.132337
H -2.791261 0.590294 -0.910877
H -5.242438 0.892221 -0.940870
H -4.067456 1.661511 1.048796
H -3.884620 0.137587 1.949485
H -4.439439 -1.865455 -2.096935
H -5.735299 -0.818474 -2.673361
H -4.052145 -0.307687 -2.832632
H -6.018633 -0.344860 1.038176
H -6.760138 -1.104946 -0.371678
H -5.388678 -1.876779 0.432979
H -2.019570 1.652431 2.568714
H -1.293972 0.359618 1.539525
H -0.582854 -2.831854 -1.804910
H -1.446386 -3.486947 -0.344700
H 0.407722 1.878785 0.858059
H -0.301796 3.314838 1.695413
H 0.342296 -0.198307 -0.518773
H 0.947980 3.941461 -0.504614
H -0.772654 4.399535 -0.521720
H -0.240541 2.958315 -1.382564
H 0.548887 -4.280226 0.895505
H 2.534459 -3.719035 2.268517
H 3.451190 -1.382133 2.257096
H 2.884765 -0.345105 -1.546489
H 3.111887 3.028877 1.158433
H 3.860662 1.050379 -3.359128
H 4.101683 4.418484 -0.679854
H 4.464040 3.423019 -2.927796


%chk=000183487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183487

0 1
O -1.684760 -1.175986 -1.101674
O -1.921022 2.303437 0.776852
O -2.811193 -2.239130 0.639705
O 3.007319 0.434198 0.889950
C -3.561701 -0.000376 -0.138097
C -4.995705 -0.301095 -0.702372
C -3.594541 0.622799 1.283476
C -4.921205 -0.860806 -2.143348
C -5.845385 -1.222826 0.204158
C -2.691949 -1.251160 -0.124369
C -2.241666 1.210122 1.704318
C -0.694556 -2.305719 -1.113173
C -0.556664 2.818514 0.957433
C 0.387425 -2.091145 -0.072690
C -0.350156 3.940928 -0.059386
C 1.211175 -0.939853 -0.145385
C 0.573267 -3.023852 0.975704
C 2.212529 -0.739068 0.829145
C 1.582996 -2.809778 1.942457
C 2.408916 -1.668366 1.875549
C 3.406753 1.118678 -0.287288
C 3.752997 0.450616 -1.485153
C 3.543434 2.519160 -0.167736
C 4.228995 1.208991 -2.577955
C 4.026099 3.262564 -1.266740
C 4.365998 2.613433 -2.477222
H -3.078207 0.725402 -0.815854
H -5.495448 0.689942 -0.747588
H -4.351335 1.430276 1.297788
H -3.896269 -0.139989 2.024899
H -4.479463 -1.875248 -2.154081
H -5.932421 -0.932695 -2.584457
H -4.303848 -0.217094 -2.796494
H -6.004110 -0.783885 1.205333
H -6.839960 -1.387469 -0.250820
H -5.359170 -2.204894 0.340688
H -2.294704 1.600524 2.744942
H -1.442586 0.435243 1.670896
H -0.299232 -2.267367 -2.141350
H -1.231177 -3.254175 -0.940795
H 0.176954 1.996378 0.800645
H -0.428961 3.193795 1.998051
H 1.047260 -0.201249 -0.937534
H 0.674416 4.348471 0.016953
H -1.071276 4.758509 0.113766
H -0.496887 3.560684 -1.085161
H -0.084063 -3.896475 1.046637
H 1.723011 -3.529931 2.755607
H 3.190880 -1.477059 2.616337
H 3.665135 -0.637856 -1.557991
H 3.280220 2.998678 0.780168
H 4.501862 0.696298 -3.507030
H 4.134767 4.349011 -1.176892
H 4.737211 3.193197 -3.328721


