%chk=000282978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282978

0 1
O 1.431262 -2.339391 0.649404
O -2.301592 -1.863863 -0.542562
N 2.259628 -0.412346 -0.311823
N -2.592123 0.266864 0.291674
C 1.127722 0.444267 -0.126460
C 1.330553 1.850957 -0.096222
C -1.257849 0.762686 0.147147
C -0.159577 -0.095693 -0.006030
C 0.214534 2.679355 0.061700
C -1.073536 2.159240 0.185846
C 2.692095 2.457032 -0.218305
C 2.337721 -1.769139 0.082302
C 3.654927 -2.439643 -0.278362
C -3.035527 -1.031965 -0.054918
C -4.504805 -1.283024 0.247816
C 4.771818 -2.014442 0.665024
C -5.406257 -0.609675 -0.777952
H -0.308732 -1.188098 -0.026900
H 0.350928 3.761228 0.090474
H -1.916020 2.832693 0.305115
H 3.091495 0.027522 -0.706449
H -3.281493 0.945115 0.618723
H 3.377214 2.067961 0.548034
H 3.131631 2.270084 -1.207532
H 2.670254 3.548299 -0.088725
H 3.499156 -3.540845 -0.210351
H 3.928430 -2.247781 -1.334090
H -4.666859 -2.385271 0.230308
H -4.763614 -0.965689 1.276771
H 5.006301 -0.947583 0.581665
H 5.694198 -2.571711 0.456269
H 4.506249 -2.212164 1.713621
H -5.328162 0.482872 -0.750623
H -6.458735 -0.868689 -0.604490
H -5.159232 -0.931359 -1.800001


%chk=000282978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282978

0 1
O 1.456296 -2.241445 -0.102374
O -2.338409 -1.701718 0.091282
N 2.341445 -0.062494 -0.177753
N -2.576290 0.633831 0.172511
C 1.184992 0.765190 -0.083679
C 1.404853 2.180432 -0.080542
C -1.229983 1.093933 0.087339
C -0.120437 0.216453 0.000278
C 0.273010 3.019421 0.009096
C -1.032008 2.499587 0.092388
C 2.801229 2.773547 -0.171192
C 2.443085 -1.458685 -0.199336
C 3.879682 -1.975985 -0.385798
C -3.069642 -0.674799 0.182777
C -4.595891 -0.768747 0.346610
C 4.147067 -3.234996 0.466033
C -5.192966 -1.891581 -0.528254
H -0.266379 -0.864045 -0.002757
H 0.418641 4.105879 0.013423
H -1.889637 3.180527 0.160822
H 3.229059 0.438234 -0.246728
H -3.279908 1.373172 0.235474
H 3.447704 2.463064 0.675131
H 3.318808 2.493061 -1.111549
H 2.754467 3.874827 -0.149435
H 3.997853 -2.230330 -1.458424
H 4.624413 -1.186858 -0.161091
H -4.796327 -0.992750 1.413671
H -5.084921 0.200655 0.125957
H 4.148050 -2.995737 1.544333
H 5.122543 -3.683701 0.207961
H 3.353145 -3.979258 0.287209
H -5.109805 -1.648422 -1.602467
H -6.259112 -2.051570 -0.288816
H -4.642625 -2.830889 -0.352002


