%chk=000239011.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239011

0 1
O 3.291127 -0.294342 1.217721
O -3.697196 -0.269922 0.851667
O 2.663194 -1.486892 -0.604501
O -2.636130 -0.902445 -1.046686
C -0.082198 -0.537882 0.324504
C 1.076127 -1.032884 1.211099
C -1.417351 -0.710426 1.077669
C 0.079196 0.906630 -0.107871
C 0.632926 1.877245 0.737742
C -0.363732 1.277236 -1.387825
C 2.380964 -0.995784 0.460739
C -2.588439 -0.655343 0.134926
C 0.751199 3.201385 0.304547
C -0.244221 2.600694 -1.817000
C 0.314606 3.565773 -0.972318
C 4.648960 -0.136584 0.695793
C -4.978029 -0.179952 0.149408
C 5.428460 -1.420957 0.885503
C -5.548691 -1.565963 -0.064777
H -0.106967 -1.188798 -0.596659
H 1.149119 -0.434528 2.145846
H 0.893825 -2.080386 1.535291
H -1.527584 0.065286 1.868100
H -1.449175 -1.682313 1.615669
H 0.983475 1.605007 1.732201
H -0.812148 0.528552 -2.046396
H 1.185852 3.949370 0.965141
H -0.586930 2.879926 -2.812156
H 0.408985 4.596104 -1.308593
H 5.016872 0.695776 1.322731
H 4.581852 0.168140 -0.364046
H -4.819367 0.366351 -0.797458
H -5.562062 0.428827 0.863637
H 5.037060 -2.220968 0.238378
H 5.369502 -1.781287 1.920027
H 6.487794 -1.287511 0.636733
H -5.572205 -2.142802 0.868280
H -4.944322 -2.136934 -0.786317
H -6.571646 -1.522197 -0.456948


%chk=000239011-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239011

0 1
O 3.498374 -0.365346 1.250181
O -3.704935 -0.252131 0.860188
O 2.627633 -1.243790 -0.730213
O -2.611839 -1.057359 -1.038751
C -0.052555 -0.491514 0.335159
C 1.155506 -0.895372 1.224284
C -1.377072 -0.796761 1.087983
C 0.021166 0.974564 -0.104810
C 0.077415 2.024591 0.849331
C 0.021622 1.309437 -1.481424
C 2.466100 -0.864710 0.452566
C -2.587616 -0.724799 0.168733
C 0.133506 3.374131 0.438445
C 0.077685 2.659446 -1.897272
C 0.133841 3.696939 -0.938958
C 4.859943 -0.321050 0.628066
C -4.987081 -0.185645 0.088952
C 5.577938 -1.662862 0.797285
C -5.708296 -1.536032 0.118301
H -0.029096 -1.124627 -0.570381
H 1.247879 -0.254066 2.116695
H 1.011952 -1.935744 1.581161
H -1.532965 -0.118106 1.943665
H -1.340014 -1.829141 1.493096
H 0.079370 1.792365 1.922232
H -0.025651 0.506450 -2.225351
H 0.177290 4.172226 1.188483
H 0.077382 2.899666 -2.966551
H 0.177510 4.743928 -1.259956
H 5.365461 0.492432 1.172393
H 4.747148 -0.056368 -0.437858
H -4.755852 0.124911 -0.945010
H -5.557799 0.602123 0.605888
H 5.059220 -2.457821 0.235647
H 5.630685 -1.950617 1.861627
H 6.610521 -1.584968 0.408979
H -5.882612 -1.867829 1.156502
H -5.120056 -2.304640 -0.410510
H -6.689004 -1.446709 -0.384999


