%chk=000241367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241367

0 1
O -1.342695 -1.184290 -1.806857
O 1.359343 -1.172819 1.804765
O -2.873458 1.021893 2.299205
O 2.869456 1.049655 -2.300151
N -1.738041 -0.343020 0.297816
N 1.746741 -0.326745 -0.299456
C 0.012422 -2.079043 -0.001255
C -0.575123 -2.961957 1.125603
C 0.608064 -2.955978 -1.128545
C -1.088734 -1.180902 -0.615914
C 1.105280 -1.171115 0.613843
C -1.841042 -3.702840 0.717129
C 1.880692 -3.685469 -0.720404
C -2.786653 0.571970 -0.024172
C 2.786872 0.597711 0.022989
C -3.380687 1.302619 1.046099
C 3.374096 1.334396 -1.046906
C -3.261909 0.800969 -1.320243
C 3.260032 0.830391 1.319169
C -4.401246 2.225915 0.830912
C 4.386074 2.266978 -0.831244
C -4.290149 1.727838 -1.538993
C 4.279660 1.766616 1.538394
C -4.855086 2.434892 -0.478810
C 4.837999 2.479439 0.478580
H -0.763763 -2.345948 2.030380
H 0.205433 -3.687865 1.442377
H 0.791075 -2.337822 -2.033018
H -0.165816 -3.688837 -1.445684
H -2.681428 -3.022472 0.530890
H -1.693115 -4.293637 -0.196418
H -2.158347 -4.397003 1.505117
H 2.714770 -2.997536 -0.533576
H 1.738084 -4.278230 0.192713
H 2.204472 -4.376136 -1.508830
H -1.489953 -0.386514 1.296989
H 1.499026 -0.371998 -1.298647
H -2.828500 0.253071 -2.166744
H 2.831743 0.278043 2.165381
H -4.839674 2.774341 1.659170
H 4.819387 2.819883 -1.659217
H -4.646193 1.891999 -2.555419
H 4.634199 1.933513 2.554900
H -5.652595 3.153582 -0.661182
H 5.628828 3.205380 0.661320
H -3.290649 1.582704 2.997010
H 3.281413 1.614679 -2.997665


%chk=000241367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241367

0 1
O -1.197905 -1.056051 -1.936459
O 1.208309 -1.040754 1.933408
O -2.894834 0.780909 2.323129
O 2.902092 0.803923 -2.323840
N -1.785395 -0.359450 0.220662
N 1.798241 -0.344859 -0.223075
C 0.013030 -2.051562 -0.002339
C -0.642994 -2.932453 1.107316
C 0.675639 -2.926697 -1.112575
C -1.049929 -1.119331 -0.677512
C 1.067275 -1.110355 0.673953
C -1.816772 -3.804523 0.616202
C 1.854648 -3.791826 -0.621630
C -2.806010 0.584684 -0.057711
C 2.807768 0.610604 0.057054
C -3.404326 1.207956 1.076748
C 3.402980 1.238433 -1.076524
C -3.259483 0.943461 -1.351058
C 3.253170 0.976398 1.351243
C -4.423119 2.166705 0.933119
C 4.410843 2.208416 -0.931264
C -4.284951 1.906534 -1.494892
C 4.267685 1.950759 1.496725
C -4.866725 2.519881 -0.363655
C 4.846418 2.568518 0.366329
H -0.974430 -2.290220 1.944176
H 0.146154 -3.567885 1.548400
H 1.003221 -2.281615 -1.948813
H -0.109112 -3.566740 -1.554847
H -2.621260 -3.191842 0.168927
H -1.497606 -4.545048 -0.139072
H -2.253194 -4.363328 1.463873
H 2.654242 -3.174711 -0.171696
H 1.539082 -4.536019 0.131511
H 2.296142 -4.345896 -1.469775
H -1.575386 -0.464683 1.220047
H 1.593208 -0.454320 -1.222984
H -2.802659 0.463675 -2.218022
H 2.798767 0.493147 2.217557
H -4.869317 2.634054 1.820373
H 4.854766 2.679150 -1.817868
H -4.626983 2.175521 -2.499685
H 4.603532 2.225118 2.502153
H -5.659775 3.265580 -0.481079
H 5.630914 3.323009 0.485046
H -3.306810 1.268877 3.075366
H 3.311154 1.295158 -3.075540


