%chk=000231696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231696

0 1
O -0.735023 3.213713 2.822911
O 1.547725 2.914492 -3.094170
O -4.885073 -1.197022 -2.499275
O 4.144457 -3.687544 -1.036100
C -0.062235 -0.102066 0.329063
C 0.290399 1.328303 -0.104568
C -0.239857 -0.242244 1.844320
C -1.384937 -0.412983 -0.378506
C 1.078071 -1.046193 -0.058679
C 0.079022 2.430531 0.748015
C -0.403442 0.875968 2.675869
C -0.395775 2.265037 2.137183
C 0.796751 1.547685 -1.386549
C -0.278563 -1.523798 2.421525
C -1.397864 -0.648692 -1.770304
C 0.833487 -2.329037 -0.582788
C -2.599503 -0.417564 0.316726
C 2.402889 -0.646599 0.172936
C 0.333468 3.737285 0.292419
C -0.584215 0.712134 4.060536
C 1.055856 2.863726 -1.815085
C -0.452767 -1.681213 3.796756
C 0.824116 3.974327 -0.987659
C -0.604890 -0.561709 4.623847
C -2.581742 -0.909274 -2.444352
C 1.883042 -3.183185 -0.899701
C -3.810043 -0.676269 -0.336968
C 3.477272 -1.484814 -0.135716
C -3.788917 -0.922295 -1.712678
C 3.204925 -2.747405 -0.675404
C 1.836025 4.215931 -3.664406
C -6.186070 -1.212934 -1.863621
C 5.541052 -3.353936 -0.849873
H 0.994379 0.721279 -2.070421
H -0.169456 -2.408476 1.793176
H -0.459834 -0.621442 -2.332229
H -0.192009 -2.672214 -0.740896
H -2.628550 -0.215121 1.390268
H 2.608264 0.336944 0.601922
H 0.138366 4.575268 0.972390
H -0.712946 1.603307 4.683361
H -0.471559 -2.681962 4.228654
H 1.014146 4.987265 -1.322767
H -0.740583 -0.686348 5.696183
H -2.602155 -1.094672 -3.515806
H 1.707850 -4.174146 -1.312185
H -4.735608 -0.675284 0.228287
H 4.492481 -1.150174 0.047158
H 0.922352 4.814418 -3.724457
H 2.195749 3.945218 -4.666092
H 2.618377 4.717730 -3.088118
H -6.229739 -2.001517 -1.107207
H -6.846202 -1.442470 -2.710298
H -6.415824 -0.229622 -1.443174
H 5.754514 -3.189224 0.210043
H 5.809826 -2.487610 -1.460935
H 6.038622 -4.262103 -1.214764


%chk=000231696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231696

0 1
O -1.145147 3.298646 2.659785
O 1.863955 3.041828 -3.052357
O -5.039342 -1.135459 -2.425991
O 4.135718 -3.900466 -1.115462
C 0.003251 -0.073740 0.298702
C 0.356793 1.374906 -0.129854
C -0.163472 -0.172027 1.834161
C -1.376160 -0.389871 -0.383957
C 1.106686 -1.071438 -0.145820
C -0.079121 2.491382 0.647823
C -0.542353 0.958659 2.611629
C -0.652155 2.320439 2.006235
C 1.009399 1.623135 -1.352851
C -0.048717 -1.425446 2.485897
C -1.484614 -0.390551 -1.804155
C 0.820680 -2.320230 -0.754805
C -2.550620 -0.650168 0.358002
C 2.460322 -0.783335 0.157544
C 0.105204 3.808967 0.157282
C -0.793813 0.824828 4.003101
C 1.199388 2.943895 -1.825201
C -0.295300 -1.554369 3.868981
C 0.730621 4.054938 -1.074924
C -0.674291 -0.424791 4.635643
C -2.704553 -0.642917 -2.448948
C 1.844783 -3.235648 -1.065453
C -3.791592 -0.903491 -0.273749
C 3.501704 -1.685059 -0.145179
C -3.871314 -0.899693 -1.684754
C 3.191800 -2.922480 -0.764548
C 2.084781 4.381723 -3.607748
C -6.271554 -1.391408 -1.676496
C 5.541341 -3.622618 -0.811422
H 1.400813 0.803294 -1.961357
H 0.237780 -2.306734 1.904290
H -0.603834 -0.187805 -2.420664
H -0.214097 -2.585015 -0.993233
H -2.519301 -0.659730 1.450818
H 2.709312 0.166603 0.644617
H -0.249041 4.633909 0.784292
H -1.082382 1.725674 4.554700
H -0.192986 -2.534776 4.347857
H 0.861800 5.081108 -1.429191
H -0.866973 -0.523950 5.709381
H -2.780137 -0.642082 -3.540583
H 1.621963 -4.197161 -1.537975
H -4.673272 -1.095765 0.344868
H 4.532894 -1.417687 0.104388
H 1.125269 4.898925 -3.799762
H 2.612740 4.212861 -4.557357
H 2.712210 4.996607 -2.934334
H -6.181893 -2.302432 -1.052876
H -7.047811 -1.540627 -2.441266
H -6.539305 -0.529000 -1.035382
H 5.700394 -3.492686 0.276931
H 5.900137 -2.722682 -1.348142
H 6.091515 -4.507591 -1.163334


