%chk=000298104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298104

0 1
O 0.056231 0.962275 0.584040
O 0.796697 0.725367 2.717647
O 2.789128 2.455156 0.985459
C -1.325706 0.591732 0.967164
C -2.230387 1.414915 0.083848
C -1.421828 -0.902504 0.767493
C -3.592510 1.497633 0.413413
C -1.038802 -1.747325 1.821970
C -1.739223 2.090561 -1.040029
C -1.858897 -1.454826 -0.443373
C -4.454580 2.255149 -0.382394
C -1.106679 -3.133155 1.666825
C -2.606843 2.851017 -1.830025
C -1.925832 -2.843515 -0.593907
C 1.010869 0.974648 1.560286
C -3.963487 2.933475 -1.503796
C -1.552426 -3.683102 0.459515
C 2.371277 1.330236 0.901303
C 3.062663 0.190006 0.258010
C 2.358469 -0.930638 -0.210322
C 4.458649 0.258707 0.106691
C 3.051379 -1.978999 -0.819284
C 5.145428 -0.795950 -0.497246
C 4.442294 -1.914258 -0.959175
H -1.459917 0.874265 2.042679
H -3.979437 0.970837 1.284552
H -0.678661 -1.318012 2.760966
H -0.677859 2.027646 -1.288726
H -2.150125 -0.802919 -1.268490
H -5.511318 2.319445 -0.127482
H -0.812138 -3.785862 2.487476
H -2.221664 3.380805 -2.700082
H -2.271642 -3.269625 -1.534396
H -4.637684 3.526060 -2.119634
H -1.608636 -4.764062 0.341820
H 1.268237 -0.981958 -0.112594
H 4.996642 1.141319 0.462728
H 2.505660 -2.848583 -1.184589
H 6.227798 -0.746132 -0.610569
H 4.979961 -2.737226 -1.431170


%chk=000298104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298104

0 1
O -0.082179 0.664253 -0.020694
O 1.069229 0.110289 1.939031
O 2.290513 1.923658 -0.741580
C -1.420848 0.461760 0.667976
C -2.376207 1.488949 0.065363
C -1.826799 -0.997470 0.516333
C -3.766430 1.364231 0.319735
C -1.680471 -1.884745 1.610736
C -1.904753 2.599563 -0.676003
C -2.318821 -1.491180 -0.718672
C -4.671125 2.336321 -0.158564
C -2.027655 -3.247982 1.476917
C -2.814685 3.567301 -1.160265
C -2.656657 -2.853917 -0.855699
C 1.052154 0.470647 0.737238
C -4.198394 3.442674 -0.902416
C -2.514862 -3.735736 0.242701
C 2.307406 0.842287 -0.087484
C 3.488094 -0.063357 -0.037927
C 3.485890 -1.294571 0.675543
C 4.647010 0.320624 -0.771457
C 4.626425 -2.124253 0.649641
C 5.782509 -0.509176 -0.790484
C 5.774294 -1.735490 -0.079637
H -1.249131 0.680167 1.740288
H -4.140478 0.504185 0.887502
H -1.283715 -1.507737 2.560591
H -0.834499 2.695580 -0.880460
H -2.434796 -0.805349 -1.565341
H -5.742216 2.228871 0.046330
H -1.916226 -3.926417 2.329914
H -2.439037 4.419357 -1.737848
H -3.032235 -3.229611 -1.813964
H -4.900428 4.196244 -1.276595
H -2.782770 -4.793002 0.136251
H 2.608187 -1.591962 1.255984
H 4.625779 1.270174 -1.316791
H 4.623312 -3.070497 1.200912
H 6.671511 -0.209046 -1.355351
H 6.658204 -2.383033 -0.095152


