%chk=000201875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201875

0 1
O 3.165436 -0.916373 -0.880637
O 1.706058 -1.104159 0.841780
N 0.132187 1.099936 -0.477289
N 0.718871 2.084602 -2.440933
C -0.623103 0.730290 0.752279
C -1.130408 1.999787 1.466489
C -1.720914 -0.246227 0.370250
C 1.338656 0.506465 -0.909429
C -1.693088 1.655841 2.841093
C -0.213272 2.043367 -1.440672
C -1.483497 -1.617740 0.549464
C -2.943104 0.185104 -0.161598
C 1.674941 1.142412 -2.124326
C 2.029869 -0.557956 -0.196868
C -2.468781 -2.547666 0.209827
C -3.926041 -0.749448 -0.500809
C -3.691668 -2.115263 -0.314228
C 4.007726 -1.963538 -0.295111
C 4.841727 -1.382339 0.826230
H 0.106949 0.205353 1.447822
H -1.903950 2.513369 0.862544
H -0.296312 2.724468 1.572723
H -2.079404 2.550033 3.344712
H -2.519437 0.935345 2.771328
H -0.932261 1.215061 3.497254
H -1.099106 2.660316 -1.400313
H -0.521805 -1.956723 0.947799
H -3.133280 1.246130 -0.312106
H 2.538943 0.952181 -2.743522
H -2.281775 -3.611259 0.351052
H -4.875135 -0.411629 -0.913902
H -4.458330 -2.841206 -0.579394
H 3.359062 -2.792605 0.039013
H 4.603755 -2.257287 -1.179042
H 5.600510 -2.093744 1.172854
H 5.360087 -0.467139 0.510752
H 4.215896 -1.118055 1.692015


%chk=000201875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201875

0 1
O 3.049915 -0.954567 -1.004469
O 1.706234 -1.040479 0.910222
N 0.186977 1.283403 -0.309934
N 0.819121 2.427106 -2.178913
C -0.648776 0.834067 0.849727
C -1.342271 2.048526 1.523051
C -1.642320 -0.252524 0.417876
C 1.335058 0.637219 -0.823372
C -1.968120 1.668574 2.880889
C -0.079330 2.339547 -1.163862
C -1.608750 -1.524936 1.037979
C -2.618322 0.001764 -0.579137
C 1.697092 1.369929 -1.971369
C 1.998846 -0.506054 -0.197165
C -2.545570 -2.521985 0.681392
C -3.550961 -0.993911 -0.940699
C -3.520903 -2.258850 -0.306866
C 3.858608 -2.090243 -0.467216
C 4.983649 -1.577044 0.436378
H 0.055899 0.387152 1.571139
H -2.132252 2.454132 0.861367
H -0.591322 2.849019 1.669912
H -2.455965 2.546065 3.341278
H -2.729156 0.876582 2.766321
H -1.198683 1.301210 3.585147
H -0.910242 3.023904 -1.020709
H -0.833593 -1.737543 1.782442
H -2.644113 0.973147 -1.088418
H 2.541983 1.182153 -2.628332
H -2.508475 -3.503196 1.167754
H -4.297114 -0.787185 -1.716145
H -4.245273 -3.031860 -0.586958
H 3.186267 -2.775641 0.077814
H 4.246798 -2.579036 -1.375069
H 5.626546 -2.421509 0.747555
H 5.612087 -0.842827 -0.096499
H 4.572432 -1.104405 1.343992


