%chk=000257204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257204

0 1
O 0.161400 -0.485920 2.526225
O 0.554597 0.947654 -2.055278
O 1.786763 3.988027 0.436721
O 1.886715 -3.199371 -0.709107
N 1.002208 -1.820296 0.912428
N 1.222662 -1.091000 -1.365879
C 0.214931 0.516973 0.313886
C -1.303476 0.816349 0.275892
C 1.034422 1.724799 0.819881
C -2.148135 -0.398265 -0.126399
C 0.434925 -0.593535 1.353151
C 0.658304 0.191634 -1.116692
C -3.639060 -0.032652 -0.184910
C 0.818641 3.019653 0.024345
C 1.410764 -2.126941 -0.413528
C -4.493757 -1.234250 -0.578367
H -1.489752 1.651687 -0.432510
H -1.621024 1.183468 1.275078
H 2.119796 1.483209 0.804615
H 0.791092 1.902655 1.890881
H -1.826719 -0.786979 -1.112771
H -2.002988 -1.229090 0.592327
H -3.798618 0.791313 -0.908719
H -3.972118 0.356079 0.798012
H 1.038207 2.895202 -1.058997
H -0.197813 3.428520 0.150790
H 1.141044 -2.563073 1.619036
H 1.524244 -1.297268 -2.334180
H -4.393224 -2.057669 0.138405
H -4.219097 -1.623409 -1.565805
H -5.556393 -0.966584 -0.618797
H 1.614259 4.287983 1.351263


%chk=000257204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257204

0 1
O -0.071465 -0.634135 2.462285
O 0.335999 0.772105 -2.172622
O 1.835574 3.962954 0.496467
O 2.536148 -2.991680 -0.575937
N 1.232322 -1.760188 0.924634
N 1.463650 -1.049699 -1.315984
C 0.165970 0.425411 0.257619
C -1.351970 0.788696 0.233753
C 1.037787 1.644331 0.771439
C -2.278069 -0.388443 -0.144360
C 0.402626 -0.686982 1.298107
C 0.631313 0.076456 -1.166117
C -3.766271 0.029421 -0.162450
C 0.856231 2.976789 0.012373
C 1.801814 -2.002115 -0.338276
C -4.707991 -1.132634 -0.543609
H -1.495145 1.606940 -0.494360
H -1.621401 1.166717 1.237763
H 2.112996 1.380329 0.730010
H 0.774594 1.785259 1.838783
H -2.003439 -0.776376 -1.147014
H -2.148290 -1.221043 0.576374
H -3.900221 0.866242 -0.877608
H -4.045369 0.421645 0.836537
H 1.076973 2.864383 -1.058944
H -0.176566 3.363584 0.119774
H 1.438205 -2.460685 1.644908
H 1.830315 -1.231812 -2.256467
H -4.615413 -1.970429 0.172947
H -4.468839 -1.523122 -1.550703
H -5.764760 -0.809022 -0.549595
H 1.635492 4.186007 1.441270


