%chk=000250828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250828

0 1
O -3.225455 -1.051182 -0.441831
O -2.679165 0.716325 0.976555
O 0.877583 1.845901 -0.409293
N 3.625982 -1.104823 -0.003166
N 2.979407 1.059624 -0.845494
N 5.094929 0.133748 -1.448063
C -0.979123 -0.909276 0.153525
C 0.062741 -0.393748 1.153306
C -2.399625 -0.634444 0.654704
C 1.416628 -0.297578 0.517678
C 2.356881 -1.277594 0.612740
C 1.673492 0.946071 -0.258638
C 2.188971 -2.572402 1.332805
C -4.656594 -0.921396 -0.217786
C -2.402975 1.719323 -0.050108
C 3.859979 0.086205 -0.747722
C -5.269851 -1.090023 -1.595980
C -3.213414 2.926440 0.383661
H -0.855524 -1.990727 -0.038215
H -0.838605 -0.424740 -0.837159
H -0.245306 0.619986 1.512884
H 0.085277 -1.035029 2.056325
H -2.678876 -1.157907 1.592133
H 4.285268 -1.878852 -0.026004
H 1.301651 -2.552103 1.991937
H 3.046463 -2.822761 1.973043
H 2.032906 -3.406844 0.630907
H -4.958821 -1.717185 0.483732
H -4.860444 0.072103 0.222421
H -1.310227 1.909745 -0.039794
H -2.713711 1.320667 -1.030356
H -6.362915 -1.055224 -1.556255
H -4.924023 -0.302448 -2.278927
H -4.970127 -2.045868 -2.046013
H -2.977857 3.799949 -0.234563
H -4.290441 2.735417 0.318381
H -2.996869 3.184845 1.429345
H 5.923737 -0.079294 -0.904853
H 5.218656 0.994600 -1.987962


%chk=000250828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250828

0 1
O -3.293748 -0.960794 -0.645594
O -2.743843 0.797658 0.933881
O 0.962832 1.863998 -0.474188
N 3.677685 -1.118502 0.053280
N 3.124175 1.042361 -0.818944
N 5.261384 0.160604 -1.166191
C -0.988619 -0.721082 -0.043233
C 0.053675 -0.347318 1.044096
C -2.429395 -0.545492 0.457986
C 1.460691 -0.293872 0.488709
C 2.397983 -1.297316 0.629201
C 1.814284 0.936526 -0.290187
C 2.221811 -2.617130 1.343917
C -4.720072 -1.053559 -0.268174
C -2.500311 1.894793 -0.046633
C 3.986470 0.050355 -0.641210
C -5.497880 -1.441207 -1.525060
C -3.130499 3.153625 0.547943
H -0.862135 -1.772743 -0.361156
H -0.837240 -0.087861 -0.934174
H -0.202907 0.657430 1.426085
H -0.025675 -1.046875 1.897236
H -2.631737 -1.168350 1.357587
H 4.365432 -1.866864 0.153452
H 1.199653 -2.724215 1.731332
H 2.920044 -2.707755 2.198787
H 2.411260 -3.467825 0.660708
H -4.836694 -1.819712 0.530290
H -5.058002 -0.080100 0.138380
H -1.411618 2.024534 -0.198369
H -2.970456 1.622918 -1.012471
H -6.575608 -1.538364 -1.298007
H -5.372480 -0.673105 -2.307886
H -5.134996 -2.403510 -1.926417
H -2.968854 4.013889 -0.127417
H -4.216868 3.020616 0.697572
H -2.672729 3.390088 1.524433
H 5.983685 -0.545712 -1.058264
H 5.461905 1.019371 -1.673402


