%chk=000185319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185319

0 1
O -0.069953 -1.593614 1.738029
N 1.930108 0.148755 0.148336
N 2.098852 1.259642 -0.628108
N 3.271214 1.509410 1.331619
C 1.115531 -1.031080 -0.279496
C -0.142747 -1.034070 0.669834
C 1.924739 -2.306893 -0.022020
C 0.717369 -0.938091 -1.748132
C -1.386866 -0.363966 0.197809
C 2.654737 0.309355 1.354667
C -2.575962 -1.108565 0.164558
C -1.391837 0.989564 -0.164174
C 2.913869 2.076596 0.097846
C -3.763089 -0.502591 -0.253325
C -2.585626 1.592300 -0.571600
C -3.768308 0.847469 -0.621131
H 2.046104 -2.512145 1.052649
H 2.925252 -2.253616 -0.470063
H 1.425292 -3.185516 -0.450598
H 0.030433 -1.744894 -2.028593
H 0.225153 0.015725 -1.995556
H 1.596757 -0.998464 -2.405784
H 2.677484 -0.420797 2.151558
H -2.572463 -2.154799 0.472610
H -0.472811 1.578228 -0.125478
H 3.255443 3.051108 -0.222267
H -4.686114 -1.080019 -0.284748
H -2.591913 2.645854 -0.849672
H -4.696248 1.320113 -0.942468


%chk=000185319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185319

0 1
O -0.444758 -2.688309 0.498702
N 1.664300 0.124814 0.099161
N 2.129535 1.164913 -0.719657
N 2.244905 1.764062 1.521735
C 1.215740 -1.186843 -0.456526
C -0.231994 -1.521680 0.057846
C 2.207858 -2.276349 0.018465
C 1.192819 -1.141909 -2.006153
C -1.353416 -0.522428 -0.016128
C 1.746134 0.507356 1.422129
C -2.613275 -0.942764 0.500445
C -1.242420 0.783043 -0.575205
C 2.462678 2.118987 0.194767
C -3.730077 -0.088024 0.464057
C -2.366192 1.635219 -0.613765
C -3.610000 1.207275 -0.095414
H 2.224727 -2.357225 1.118259
H 3.220709 -2.025257 -0.340736
H 1.908766 -3.258226 -0.379324
H 0.861103 -2.126415 -2.378979
H 0.516354 -0.368275 -2.398601
H 2.204723 -0.934884 -2.389923
H 1.441692 -0.118047 2.257040
H -2.685100 -1.950134 0.923257
H -0.293942 1.148300 -0.977436
H 2.870247 3.079497 -0.108972
H -4.690873 -0.425427 0.867362
H -2.268682 2.637268 -1.044857
H -4.477159 1.876462 -0.125248


