%chk=000256729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256729

0 1
O 5.237943 -0.182993 0.237539
O -6.562750 2.261976 -0.251865
O 5.973347 1.640330 -0.878055
C -0.424727 -0.681000 -0.414472
C 1.038036 -0.675088 0.141156
C -1.304460 0.347303 0.363880
C -2.708438 0.267212 -0.237123
C 1.590176 0.779599 -0.017601
C -3.331389 -1.153984 0.012665
C -1.044429 -2.098259 -0.416044
C -0.719399 1.764880 0.250148
C 0.731144 1.803388 0.743641
C -2.527889 -2.147997 -0.835126
C 1.925777 -1.610490 -0.727075
C 3.063221 0.876052 0.413533
C -3.840503 1.228936 0.187218
C 1.070799 -1.143956 1.603667
C 3.411201 -1.535002 -0.359867
C 3.913234 -0.090930 -0.410992
C -4.789579 -0.885966 -0.357790
C -3.347780 -1.593765 1.488260
C -5.070685 0.422610 -0.196636
C -6.385754 1.068600 -0.384022
C 6.187941 0.755467 -0.082218
C 7.432326 0.474092 0.687183
H -0.379004 -0.340085 -1.478860
H -1.331527 0.064290 1.442926
H -2.598338 0.398595 -1.347218
H 1.538422 1.038316 -1.106691
H -0.941007 -2.545872 0.593088
H -0.462859 -2.749002 -1.096558
H -1.336400 2.471163 0.837254
H -0.772882 2.121011 -0.796330
H 1.146098 2.820032 0.606340
H 0.770959 1.607215 1.831620
H -2.631705 -1.909624 -1.909645
H -2.914932 -3.175584 -0.714591
H 1.795020 -1.358182 -1.796817
H 1.583670 -2.657435 -0.620521
H 3.438689 1.909797 0.280695
H 3.173799 0.652019 1.492104
H -3.801635 2.199154 -0.334888
H -3.831105 1.454140 1.267139
H 0.423549 -0.526068 2.236861
H 0.733593 -2.181055 1.700045
H 2.083267 -1.087645 2.019497
H 3.582815 -1.948660 0.655308
H 4.009969 -2.168963 -1.040771
H 4.067348 0.272992 -1.449580
H -5.450345 -1.682190 -0.647691
H -3.877316 -2.543694 1.610640
H -2.331675 -1.729801 1.878050
H -3.841357 -0.851238 2.125325
H -7.217384 0.395499 -0.656483
H 7.335130 -0.411959 1.333971
H 7.696792 1.331354 1.325711
H 8.280591 0.304362 0.005771


%chk=000256729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256729

0 1
O 5.381483 -0.155530 0.156228
O -6.634723 2.386776 -0.372620
O 5.845989 1.753015 -1.109281
C -0.418986 -0.725164 -0.278186
C 1.053032 -0.755834 0.290848
C -1.325673 0.307877 0.481606
C -2.714657 0.274563 -0.177653
C 1.620815 0.708017 0.185056
C -3.396057 -1.135857 -0.085641
C -1.074278 -2.136480 -0.390815
C -0.701439 1.722845 0.444315
C 0.757652 1.735565 0.951415
C -2.542123 -2.126395 -0.910776
C 1.951471 -1.665800 -0.607840
C 3.117889 0.797967 0.572656
C -3.842748 1.269251 0.213228
C 1.078328 -1.288343 1.750758
C 3.460994 -1.584820 -0.267216
C 3.954583 -0.134828 -0.317687
C -4.796763 -0.783759 -0.575278
C -3.569973 -1.655219 1.380362
C -5.065672 0.546809 -0.357054
C -6.365580 1.174982 -0.616920
C 6.218490 0.862742 -0.309571
C 7.598184 0.736415 0.301668
H -0.333984 -0.332402 -1.320073
H -1.423776 0.001119 1.543407
H -2.548569 0.441944 -1.267119
H 1.551731 0.978431 -0.894911
H -1.042692 -2.642135 0.592927
H -0.473164 -2.762643 -1.076430
H -1.319916 2.420569 1.041752
H -0.723313 2.096120 -0.602259
H 1.191630 2.746913 0.821674
H 0.786557 1.521748 2.039235
H -2.555310 -1.816747 -1.975445
H -2.955644 -3.153963 -0.863745
H 1.802285 -1.372199 -1.668927
H 1.633103 -2.721844 -0.523243
H 3.468390 1.839592 0.447555
H 3.266607 0.525282 1.635029
H -3.718579 2.278106 -0.215006
H -3.942022 1.397489 1.310607
H 0.436044 -0.695738 2.424375
H 0.728399 -2.336228 1.791625
H 2.095916 -1.274157 2.177069
H 3.653824 -1.994380 0.741988
H 4.041994 -2.201074 -0.978593
H 3.954996 0.252293 -1.355812
H -5.517841 -1.517856 -0.957067
H -4.182761 -2.575990 1.384405
H -2.601225 -1.896652 1.849850
H -4.079505 -0.908911 2.015229
H -7.136918 0.495616 -1.063575
H 7.600050 1.204932 1.302996
H 8.332919 1.259467 -0.328566
H 7.878140 -0.321602 0.425153


