%chk=000269309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269309

0 1
O 3.601462 -2.628818 -0.329222
O -3.028912 1.338370 0.820555
O 3.764669 -1.871207 1.767645
O -4.330839 -0.517888 -1.037307
O -0.425174 1.460903 -2.048838
O 0.714520 -0.445241 -2.263861
C 1.831461 -1.227610 0.351890
C 0.714837 -1.780657 1.268526
C 1.926755 0.279058 0.458114
C -0.643414 -1.447518 0.714969
C 1.311570 1.125428 -0.487579
C 3.141548 -1.890686 0.731801
C 2.603812 0.859951 1.542621
C -1.237948 -0.215634 1.022439
C -1.298484 -2.348052 -0.139775
C -2.475340 0.112800 0.462158
C 1.390613 2.522322 -0.341644
C -2.548368 -2.036694 -0.678140
C -3.142604 -0.803407 -0.380956
C 2.686095 2.246250 1.675972
C 2.080111 3.082862 0.731811
C 0.568653 0.586631 -1.647684
C -3.067919 2.282366 -0.287972
C -5.440338 -0.184091 -0.157667
H 1.598331 -1.527894 -0.720951
H 0.832401 -1.375745 2.296857
H 0.828047 -2.880649 1.374654
H 3.079716 0.217310 2.293149
H -0.746913 0.503660 1.678287
H -0.829385 -3.298215 -0.394212
H 0.900233 3.164786 -1.078826
H -3.067405 -2.732118 -1.337193
H 3.223561 2.677865 2.522056
H 2.143060 4.165042 0.837362
H 4.462138 -3.092257 -0.137197
H -3.736965 1.909847 -1.070731
H -2.053615 2.440083 -0.675003
H -3.461258 3.184814 0.189627
H -0.944317 1.100532 -2.821028
H -5.167339 0.629843 0.524472
H -5.740004 -1.079268 0.393726
H -6.213351 0.124726 -0.868902


%chk=000269309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269309

0 1
O 4.004258 -2.261795 -0.289348
O -3.055961 1.397769 0.908672
O 3.526568 -2.170451 1.975665
O -4.469949 -0.394553 -0.928097
O -0.022153 1.495790 -2.501243
O 0.945261 -0.598366 -2.387821
C 1.863845 -1.325399 0.331032
C 0.693575 -1.866181 1.233882
C 1.952180 0.209470 0.393625
C -0.676955 -1.478216 0.702823
C 1.410810 1.065115 -0.617764
C 3.177856 -1.943027 0.793123
C 2.505442 0.810889 1.553376
C -1.278251 -0.246496 1.061841
C -1.362386 -2.322576 -0.208366
C -2.521799 0.143219 0.523707
C 1.453033 2.477447 -0.444797
C -2.622756 -1.957023 -0.725995
C -3.219246 -0.731731 -0.357741
C 2.552513 2.211486 1.710140
C 2.024448 3.052708 0.704375
C 0.798415 0.536742 -1.872146
C -3.157488 2.371031 -0.206098
C -5.564687 -0.197516 0.051307
H 1.695374 -1.634379 -0.711560
H 0.847074 -1.496563 2.263435
H 0.783042 -2.967999 1.271289
H 2.905460 0.165520 2.343497
H -0.779986 0.445444 1.749568
H -0.909228 -3.273686 -0.511277
H 1.030301 3.110191 -1.229350
H -3.168442 -2.610206 -1.414543
H 2.995500 2.642606 2.614697
H 2.054940 4.141456 0.816581
H 4.858017 -2.645463 0.053661
H -3.829681 1.992559 -0.997970
H -2.154616 2.567629 -0.630287
H -3.567732 3.288409 0.243109
H -0.393744 1.085476 -3.328330
H -5.304495 0.589200 0.781886
H -5.774005 -1.146489 0.580727
H -6.440651 0.099760 -0.545283


