%chk=000298922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298922

0 1
O -0.171966 -0.401467 -1.111851
O -1.061385 2.250203 -0.092077
O 1.604600 1.031972 1.618813
O -2.534518 2.737440 1.558103
O 3.165471 2.512379 0.911305
C -1.126610 -0.231353 0.012521
C 1.098524 -0.395170 -0.338107
C -0.577099 1.104526 0.641608
C 0.946510 1.022403 0.330395
C -0.641408 -1.348244 0.937187
C 0.766368 -1.448517 0.718148
C -2.532420 -0.276882 -0.478204
C 2.228882 -0.663520 -1.273283
C -1.283831 -2.171546 1.834497
C 1.530277 -2.370471 1.398221
C -3.584268 0.091537 0.374079
C 2.121961 -1.763141 -2.142442
C -2.804024 -0.707799 -1.784522
C 3.377137 0.137539 -1.302755
C -0.501344 -3.121058 2.530013
C 0.870675 -3.217537 2.317534
C -2.080172 3.002327 0.470829
C 2.703874 1.851404 1.809583
C -4.902901 0.018133 -0.080827
C 3.161830 -2.062012 -3.024393
C -4.125643 -0.776472 -2.233431
C 4.417457 -0.169346 -2.185727
C -5.175445 -0.417327 -1.382262
C 4.313266 -1.267059 -3.044649
C -2.432518 4.092459 -0.474431
C 3.137761 1.726770 3.225172
H -0.803644 1.211122 1.723272
H 1.302858 1.850762 -0.316617
H -2.356793 -2.105159 2.003344
H 2.602455 -2.453421 1.236061
H -3.375365 0.452418 1.383821
H 1.215112 -2.370811 -2.127542
H -1.975601 -0.982140 -2.442937
H 3.470783 1.009600 -0.650077
H -0.989287 -3.786802 3.240818
H 1.453560 -3.958611 2.863118
H -5.719214 0.303441 0.580954
H 3.074643 -2.912574 -3.698158
H -4.335899 -1.111065 -3.247867
H 5.308874 0.456112 -2.204931
H -6.204404 -0.475133 -1.732356
H 5.124519 -1.501025 -3.731737
H -3.457128 3.955261 -0.858906
H -1.757595 4.126729 -1.347234
H -2.396596 5.074098 0.023267
H 2.560493 0.965746 3.777830
H 3.016061 2.685316 3.756215
H 4.203429 1.453666 3.286913


%chk=000298922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298922

0 1
O -0.185175 -0.445558 -1.222389
O -1.083802 2.240979 -0.098910
O 1.695134 0.980799 1.580344
O -2.314019 2.851925 1.795859
O 2.979269 2.779883 0.808337
C -1.155227 -0.280316 -0.075089
C 1.083320 -0.486983 -0.382807
C -0.584528 1.032246 0.589970
C 0.937570 0.916261 0.310979
C -0.700818 -1.421642 0.850472
C 0.696078 -1.549848 0.656138
C -2.588152 -0.272145 -0.539321
C 2.285330 -0.745810 -1.256383
C -1.388894 -2.234192 1.760549
C 1.444994 -2.493552 1.370359
C -3.623871 0.104773 0.353231
C 2.362355 -1.990363 -1.935675
C -2.914365 -0.680818 -1.854838
C 3.320716 0.203215 -1.439141
C -0.641101 -3.207161 2.476120
C 0.755496 -3.334730 2.283837
C -1.961330 3.076217 0.616655
C 2.675593 1.980349 1.720787
C -4.971534 0.067557 -0.067545
C 3.450130 -2.279642 -2.784382
C -4.263122 -0.714561 -2.272731
C 4.415514 -0.091189 -2.283507
C -5.296419 -0.343921 -1.380918
C 4.484511 -1.329562 -2.959272
C -2.396743 4.230302 -0.253569
C 3.265170 1.928927 3.110365
H -0.818828 1.106536 1.665458
H 1.256513 1.730684 -0.360662
H -2.470357 -2.140217 1.903030
H 2.525314 -2.590397 1.220733
H -3.383129 0.444655 1.367575
H 1.557210 -2.721331 -1.803729
H -2.106761 -0.960123 -2.537347
H 3.287659 1.174026 -0.933779
H -1.152277 -3.872153 3.181146
H 1.309854 -4.095168 2.845214
H -5.764150 0.364130 0.628410
H 3.491828 -3.240279 -3.309623
H -4.507095 -1.029113 -3.293684
H 5.210177 0.651342 -2.415654
H -6.342438 -0.372038 -1.706399
H 5.332324 -1.552301 -3.616898
H -3.117761 3.865069 -1.007198
H -1.536645 4.653825 -0.796898
H -2.880275 5.000936 0.363974
H 3.523003 0.891912 3.381408
H 2.518620 2.284270 3.843175
H 4.155442 2.571995 3.160521


