%chk=000245463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245463

0 1
O -2.097191 -1.649164 -0.671956
O 5.208114 -0.681328 0.096017
O 4.352406 1.389752 -0.207266
N -3.336649 0.104445 0.054856
C 0.393633 -0.552669 -0.274087
C -0.847536 0.271543 0.088333
C 1.680565 0.220772 0.025578
C -2.109699 -0.514207 -0.214735
C -4.597541 -0.631782 -0.243136
C -3.470076 1.493734 0.554623
C 2.916518 -0.603892 -0.349244
C -5.228963 -1.197465 1.027772
C -3.385230 2.519154 -0.576747
C 4.172868 0.196544 -0.158930
C 6.530472 -0.108087 0.268652
H 0.346872 -0.839904 -1.345095
H 0.374293 -1.514905 0.278733
H -0.849880 1.226925 -0.476824
H -0.821729 0.549298 1.161804
H 1.724343 0.495463 1.098413
H 1.694448 1.182882 -0.528818
H -4.360184 -1.466581 -0.950176
H -5.302987 0.049478 -0.765107
H -2.686644 1.694775 1.319525
H -4.445873 1.593450 1.083917
H 2.962577 -1.544706 0.242508
H 2.862742 -0.934401 -1.410824
H -4.542374 -1.888515 1.535833
H -5.494196 -0.415341 1.746106
H -6.140409 -1.759123 0.793103
H -2.421645 2.476024 -1.099106
H -4.162324 2.351755 -1.333064
H -3.510037 3.539020 -0.195909
H 6.489371 0.738062 0.962767
H 6.907154 0.210196 -0.707854
H 7.106193 -0.945303 0.676440


%chk=000245463-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245463

0 1
O -2.144242 -1.754467 -0.467290
O 5.341351 -0.744526 -0.091269
O 4.368035 1.339256 0.273312
N -3.360905 0.162741 0.017844
C 0.393793 -0.577097 -0.190793
C -0.860005 0.239633 0.178838
C 1.694569 0.187642 0.132511
C -2.159765 -0.529505 -0.116667
C -4.624920 -0.562266 -0.262319
C -3.470943 1.576268 0.438350
C 2.947671 -0.635541 -0.223693
C -5.215421 -1.231591 0.997278
C -3.594055 2.561062 -0.747358
C 4.243677 0.119406 0.019020
C 6.672407 -0.117788 0.094355
H 0.356696 -0.831373 -1.267569
H 0.365972 -1.542980 0.346765
H -0.854724 1.204665 -0.366212
H -0.826244 0.494769 1.259115
H 1.723782 0.449207 1.208880
H 1.723975 1.148474 -0.416414
H -4.403765 -1.333269 -1.019363
H -5.345924 0.156726 -0.695764
H -2.601744 1.844325 1.061771
H -4.361852 1.667758 1.089671
H 2.982621 -1.583713 0.345034
H 2.925542 -0.930354 -1.292502
H -4.512420 -1.986577 1.388140
H -5.417596 -0.492283 1.794573
H -6.167471 -1.738178 0.753195
H -2.696164 2.523967 -1.389479
H -4.469740 2.318050 -1.375419
H -3.714125 3.596717 -0.379125
H 6.747469 0.331894 1.098838
H 6.836177 0.666499 -0.664018
H 7.389693 -0.941651 -0.026133


