%chk=000248049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248049

0 1
O 3.569595 2.011817 -0.077466
O 3.822203 -0.769692 -0.691518
N -2.101052 1.553276 0.283332
N -3.431242 0.337876 -1.227142
C 0.247667 0.855612 0.768535
C -1.022251 1.479394 1.300151
C 1.376619 1.659547 0.553179
C 0.301211 -0.512454 0.491478
C 2.558713 1.090561 0.064833
C 2.606967 -0.304403 -0.216374
C 1.476983 -1.093173 -0.001292
C -2.912604 0.423365 0.049937
C -3.268609 -0.496679 1.068227
C -4.193204 -1.492769 0.766048
C -4.332973 -0.639482 -1.480808
C -4.740708 -1.577452 -0.518751
C 4.836129 1.560023 -0.619625
C 3.899341 -2.167797 -1.061457
H -1.377496 0.923353 2.199689
H -0.840203 2.525311 1.648521
H 1.359118 2.729834 0.757094
H -0.576530 -1.139120 0.649395
H -1.817596 2.055337 -0.568503
H 1.492104 -2.159640 -0.211533
H -2.846397 -0.409567 2.064033
H -4.491053 -2.207931 1.533563
H -4.728361 -0.664539 -2.503937
H -5.462421 -2.346766 -0.768698
H 4.692574 1.161700 -1.629269
H 5.279355 0.807103 0.041092
H 5.419892 2.487311 -0.627821
H 3.192124 -2.390020 -1.865848
H 3.735982 -2.802593 -0.185910
H 4.935123 -2.245940 -1.415653


%chk=000248049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248049

0 1
O 3.519438 1.186695 1.404095
O 3.854860 -1.089039 -0.284154
N -2.273266 1.296660 -0.799800
N -4.168385 -0.044097 -0.961790
C 0.188246 1.076583 -0.236600
C -1.103194 1.904997 -0.174142
C 1.297693 1.462782 0.554048
C 0.319902 -0.042819 -1.083988
C 2.517529 0.757943 0.515277
C 2.634002 -0.389366 -0.332122
C 1.531969 -0.769117 -1.131908
C -3.048071 0.291118 -0.237027
C -2.717459 -0.347414 0.998130
C -3.589709 -1.336347 1.489667
C -4.986777 -1.009748 -0.461729
C -4.753395 -1.683061 0.758505
C 4.879833 1.395191 0.866712
C 3.958457 -2.316188 -1.077474
H -1.324686 2.145958 0.887157
H -0.931043 2.876427 -0.676351
H 1.242656 2.325866 1.228427
H -0.529491 -0.357202 -1.698620
H -2.637757 1.669147 -1.677650
H 1.600940 -1.645294 -1.783854
H -1.800865 -0.090515 1.535747
H -3.358789 -1.839777 2.435168
H -5.865855 -1.244673 -1.073959
H -5.448604 -2.448380 1.114813
H 4.861440 2.143663 0.050386
H 5.310930 0.449714 0.500524
H 5.460478 1.785548 1.716544
H 3.860808 -2.107614 -2.160702
H 3.193961 -3.055912 -0.770973
H 4.963202 -2.710323 -0.864855


