%chk=000254986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254986

0 1
O -2.460677 0.660859 1.863928
O -5.057212 -1.926271 -1.879651
O -2.839769 -2.003150 -2.293872
O 2.549556 -1.053794 0.261659
O 1.848521 0.396661 -1.364997
N -2.295506 -0.367915 -0.182158
N 0.518197 -0.147670 0.518484
C -0.392548 1.031132 0.627695
C -3.612178 -1.056350 -0.150063
C -0.399769 1.950333 -0.611803
C 0.008938 1.941225 1.816455
C -3.687159 -2.169378 0.928281
C -4.792650 -0.107970 0.157255
C 0.608383 3.069969 -0.310509
C 0.737679 3.157019 1.221742
C -5.158679 -2.233366 1.372875
C -5.877618 -1.009125 0.768565
C -1.814119 0.419000 0.859291
C -3.748608 -1.704991 -1.550174
C 1.654692 -0.152934 -0.302756
C -5.298688 -2.566108 -3.165222
C 3.768771 -1.337293 -0.495175
C 4.821019 -0.323160 -0.146706
C 4.823939 0.926484 -0.784680
C 5.800560 -0.620959 0.810759
C 5.807920 1.867065 -0.472404
C 6.784602 0.323368 1.118689
C 6.790427 1.565915 0.477233
H -0.136350 1.411462 -1.543327
H -1.410819 2.369110 -0.770124
H -0.899253 2.257117 2.373160
H 0.631986 1.414146 2.556847
H -3.042015 -1.893657 1.786902
H -3.317087 -3.138615 0.560732
H -5.146180 0.424907 -0.738354
H -4.476799 0.665067 0.890604
H 0.284906 4.028337 -0.747013
H 1.585977 2.828636 -0.772360
H 1.799314 3.168486 1.523747
H 0.298973 4.095566 1.602481
H -5.229191 -2.226491 2.474387
H -5.634052 -3.169420 1.033812
H -6.589595 -1.331957 -0.014191
H -6.461448 -0.467167 1.529793
H -1.657454 -0.646192 -0.944086
H 0.617553 -0.673503 1.399876
H -6.387796 -2.503061 -3.257577
H -4.784639 -2.016651 -3.960789
H -4.948188 -3.601561 -3.121244
H 3.531272 -1.350714 -1.576644
H 4.002123 -2.359888 -0.142841
H 4.045958 1.160911 -1.518072
H 5.795902 -1.583753 1.318948
H 5.809608 2.835636 -0.969674
H 7.546169 0.090262 1.860736
H 7.558202 2.299190 0.717526


%chk=000254986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254986

0 1
O -2.843110 1.829475 0.765157
O -3.926062 -3.151419 -0.938275
O -1.771905 -2.929829 -0.109410
O 2.155494 -0.838503 0.189162
O 0.781687 0.599053 -1.090428
N -2.070078 -0.361617 0.490986
N 0.495648 0.301386 1.233037
C -0.546286 1.329888 1.476312
C -3.261458 -0.945519 -0.154651
C -0.086044 2.747841 1.033464
C -0.686355 1.513284 3.019526
C -4.573571 -0.798731 0.691282
C -3.639497 -0.239285 -1.505659
C 0.916919 3.197742 2.129677
C 0.500062 2.434444 3.433672
C -5.754498 -0.828849 -0.318474
C -5.146237 -0.523115 -1.730082
C -1.924235 0.951698 0.855153
C -2.888962 -2.420421 -0.383483
C 1.106366 0.087643 0.013207
C -3.633248 -4.583845 -1.203054
C 2.906463 -1.205363 -1.058347
C 4.123261 -0.326821 -1.256587
C 4.002621 0.934803 -1.896747
C 5.398643 -0.754884 -0.809077
C 5.139069 1.753116 -2.078598
C 6.536744 0.062465 -0.991987
C 6.408521 1.319376 -1.627613
H 0.341327 2.740560 0.018332
H -0.986917 3.385276 1.020168
H -1.650856 2.018264 3.200942
H -0.707126 0.548493 3.560919
H -4.512149 0.186533 1.183046
H -4.651541 -1.574617 1.472884
H -2.996606 -0.569219 -2.340058
H -3.467381 0.838408 -1.345073
H 0.893500 4.293292 2.266215
H 1.949775 2.929054 1.843341
H 1.347841 1.843571 3.827004
H 0.192835 3.125884 4.238000
H -6.519490 -0.084497 -0.034301
H -6.238884 -1.819697 -0.324993
H -5.283857 -1.393622 -2.393188
H -5.635725 0.342940 -2.210297
H -1.262793 -0.989693 0.587165
H 0.925511 -0.159514 2.037885
H -4.567131 -4.984567 -1.620425
H -2.801891 -4.673835 -1.921624
H -3.360511 -5.095141 -0.265129
H 2.203727 -1.126915 -1.905986
H 3.183803 -2.256797 -0.883090
H 3.014938 1.266165 -2.237115
H 5.499198 -1.729639 -0.315533
H 5.037154 2.725038 -2.574390
H 7.518220 -0.278978 -0.644217
H 7.290179 1.954038 -1.772649


