%chk=000186533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186533

0 1
O 5.816870 -0.253088 -0.000595
N 3.748319 -1.283762 -0.000811
C -0.821210 0.587556 -0.000148
C 0.613671 0.772642 -0.000413
C -1.372430 -0.704511 0.000092
C -1.689371 1.743654 -0.000131
C 1.473484 -0.355538 -0.000440
C 1.160283 2.093050 -0.000644
C -2.804007 -0.876433 0.000350
C -3.638014 0.271675 0.000359
C -0.475616 -1.834440 0.000075
C -3.056534 1.576147 0.000116
C 0.874570 -1.667023 -0.000178
C 2.891424 -0.140265 -0.000717
C -1.084104 3.071465 -0.000378
C 0.255746 3.234208 -0.000618
C 2.544139 2.261364 -0.000889
C 3.405545 1.157529 -0.000929
C -3.418092 -2.167928 0.000598
C -5.060445 0.107253 0.000613
C -4.784934 -2.300933 0.000839
C -5.618528 -1.146697 0.000846
C 5.164705 -1.275649 -0.000672
C 5.768525 -2.653076 -0.000662
H -0.912829 -2.834744 0.000276
H -3.720567 2.439684 0.000131
H 1.530122 -2.539422 -0.000180
H -1.760774 3.925476 -0.000360
H 0.707204 4.226953 -0.000802
H 2.974752 3.264110 -0.001059
H 4.489946 1.326687 -0.001118
H -2.777688 -3.051321 0.000590
H -5.687648 0.997542 0.000616
H 3.270771 -2.191415 -0.000852
H -5.250298 -3.284930 0.001027
H -6.699436 -1.278706 0.001039
H 5.494415 -3.235425 0.888845
H 6.869947 -2.573925 -0.000557
H 5.494584 -3.235364 -0.890260


%chk=000186533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186533

0 1
O 5.949124 -0.264036 -0.000815
N 3.804060 -1.241870 -0.000674
C -0.810043 0.596135 -0.000134
C 0.620279 0.791260 -0.000372
C -1.371111 -0.724837 0.000122
C -1.690146 1.757011 -0.000154
C 1.512558 -0.342975 -0.000361
C 1.159625 2.130752 -0.000617
C -2.814823 -0.905516 0.000354
C -3.667330 0.267325 0.000327
C -0.457846 -1.836308 0.000151
C -3.081315 1.568198 0.000075
C 0.917679 -1.655389 -0.000078
C 2.939005 -0.115407 -0.000626
C -1.109569 3.085547 -0.000407
C 0.257586 3.263170 -0.000628
C 2.564422 2.302393 -0.000840
C 3.446866 1.205656 -0.000850
C -3.444763 -2.192514 0.000609
C -5.094102 0.105217 0.000555
C -4.837124 -2.323254 0.000828
C -5.673255 -1.163526 0.000802
C 5.205762 -1.287038 -0.000760
C 5.763560 -2.712276 -0.000785
H -0.848160 -2.857622 0.000366
H -3.741554 2.444558 0.000059
H 1.538946 -2.559373 0.000000
H -1.786884 3.947258 -0.000418
H 0.690832 4.270014 -0.000816
H 2.977524 3.317652 -0.001018
H 4.527463 1.353848 -0.001028
H -2.834620 -3.100748 0.000636
H -5.723339 1.003177 0.000532
H 3.347663 -2.154913 -0.000651
H -5.292185 -3.319845 0.001021
H -6.762695 -1.277024 0.000974
H 5.436603 -3.272371 0.895158
H 6.861314 -2.657548 -0.000856
H 5.436490 -3.272383 -0.896680


