%chk=000116058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116058

0 1
O 0.338998 -1.863351 2.207739
O -2.439129 -0.949514 3.018435
N 0.714970 -0.343501 0.518474
N -4.093929 -0.666328 -0.063952
N -1.484647 -1.145437 0.924658
C 2.172935 -0.253723 0.782878
C 2.538658 1.019110 1.607638
C 3.477352 1.882894 0.734483
C 2.923270 -0.097283 -0.523499
C 3.659977 1.110087 -0.541020
C 2.956908 -0.968317 -1.602817
C 4.432808 1.449521 -1.644460
C 3.738276 -0.624280 -2.719203
C 4.464655 0.567794 -2.738111
C -0.093805 -1.158726 1.322361
C -3.932481 -1.449219 1.197765
C -4.509714 0.745116 0.246124
C -5.052912 -1.336088 -1.004637
C -2.569797 -1.153346 1.833251
C -4.236823 1.644705 -0.958700
C -4.410867 -2.581638 -1.614795
H 2.494415 -1.179888 1.330728
H 1.637842 1.582108 1.903418
H 3.030585 0.726786 2.550907
H 3.045876 2.881638 0.540701
H 4.445565 2.057582 1.239109
H 0.325095 0.332774 -0.130673
H 2.392609 -1.898604 -1.587102
H 5.003454 2.373728 -1.666701
H 3.776965 -1.297200 -3.573542
H 5.067114 0.820621 -3.609641
H -3.977812 -2.543648 0.982764
H -4.720527 -1.255205 1.960735
H -1.711033 -1.095482 -0.079345
H -5.576046 0.821679 0.550159
H -3.908606 1.103806 1.113251
H -6.017989 -1.598343 -0.519640
H -5.292786 -0.612757 -1.817898
H -4.388032 2.698797 -0.699959
H -4.892841 1.411860 -1.805632
H -3.203738 1.531889 -1.312540
H -5.054810 -3.014266 -2.388656
H -4.223418 -3.360957 -0.866355
H -3.445284 -2.343391 -2.079700


%chk=000116058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116058

0 1
O 0.311086 -1.381286 2.556155
O -2.453285 -2.546222 2.889588
N 0.436674 -0.180949 0.551949
N -3.963642 -0.739146 0.047741
N -1.597660 -1.150482 1.155638
C 1.845106 0.194052 0.715445
C 2.080480 1.717039 0.996813
C 3.491999 2.024254 0.411136
C 2.701183 -0.057779 -0.525187
C 3.638441 0.990697 -0.701063
C 2.658573 -1.150611 -1.412382
C 4.545504 0.956860 -1.779176
C 3.566002 -1.182579 -2.499947
C 4.501830 -0.135107 -2.681861
C -0.236142 -0.942926 1.511207
C -3.917235 -1.843633 1.044628
C -4.432596 0.537173 0.678120
C -4.713379 -1.091940 -1.196270
C -2.575736 -1.888259 1.828397
C -4.002967 1.794774 -0.098317
C -3.938212 -2.057622 -2.110890
H 2.206560 -0.410127 1.570542
H 1.314600 2.299588 0.448734
H 1.987564 1.957366 2.068993
H 3.593702 3.065133 0.055036
H 4.273148 1.868044 1.182075
H -0.044755 0.138769 -0.291067
H 1.936929 -1.961937 -1.261202
H 5.273118 1.764090 -1.924802
H 3.546800 -2.021975 -3.204293
H 5.196717 -0.169928 -3.528782
H -4.013086 -2.816462 0.529118
H -4.735937 -1.794178 1.793001
H -2.025123 -0.702292 0.314815
H -5.541009 0.526728 0.807323
H -3.995696 0.579275 1.693267
H -5.712627 -1.521471 -0.946074
H -4.901563 -0.154726 -1.749147
H -4.337880 2.701303 0.437687
H -4.435424 1.831467 -1.113928
H -2.902665 1.837548 -0.191613
H -4.529360 -2.279267 -3.018244
H -3.721313 -3.020631 -1.614347
H -2.977424 -1.610621 -2.421818


