%chk=000208954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208954

0 1
O 4.112399 -1.486762 -0.132822
O -5.038690 -0.957821 0.139201
N 0.590964 0.546571 -0.126604
N 1.789813 -1.603831 -0.047159
N -0.685677 -1.369360 0.021319
N -3.749446 0.888401 -0.004161
N -3.735202 -1.397589 0.121235
C 1.783415 1.289817 -0.202228
C 2.967234 0.585132 -0.202609
C 4.313920 1.246858 -0.259378
C 0.585123 -0.926908 -0.044375
C 2.901833 -0.867670 -0.121628
C -0.755673 0.952708 -0.105135
C -1.504773 -0.224105 -0.015637
C 1.662586 2.769909 -0.277692
C 4.787384 1.673802 1.129131
C -2.951288 -0.305434 0.035731
C 4.116149 -2.948601 -0.067511
C -5.003038 0.462952 0.059851
C -6.294449 1.153114 0.063637
H 5.053949 0.543276 -0.705304
H 4.287991 2.119744 -0.943800
H -1.090327 1.972803 -0.149916
H 1.049280 3.088297 -1.136819
H 1.194044 3.184954 0.630294
H 2.641721 3.265036 -0.383475
H 5.770853 2.154696 1.082080
H 4.878067 0.808132 1.798843
H 4.092402 2.376560 1.601159
H 5.189776 -3.161007 -0.092354
H 3.587788 -3.361098 -0.933754
H 3.645833 -3.280437 0.864448
H -6.865849 0.938915 0.984386
H -6.167174 2.249003 -0.001583
H -6.923837 0.840142 -0.788469


%chk=000208954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208954

0 1
O 4.123058 -1.469541 -0.107540
O -5.058353 -0.989224 0.136678
N 0.565765 0.559383 -0.128933
N 1.779011 -1.556202 -0.035693
N -0.663207 -1.387244 0.026375
N -3.732590 0.848156 -0.012093
N -3.661982 -1.488508 0.125523
C 1.743325 1.314200 -0.211234
C 2.956689 0.624502 -0.217658
C 4.309156 1.310662 -0.284688
C 0.590299 -0.890370 -0.042373
C 2.894602 -0.826443 -0.116988
C -0.775100 0.937923 -0.111283
C -1.498577 -0.265585 -0.013905
C 1.569211 2.808200 -0.278058
C 4.893703 1.609909 1.121717
C -2.950457 -0.334615 0.035381
C 4.089558 -2.946916 -0.020198
C -4.984217 0.411448 0.051964
C -6.259692 1.181760 0.044806
H 5.009196 0.649365 -0.823643
H 4.238680 2.247054 -0.867605
H -1.127297 1.962186 -0.162689
H 0.970965 3.097712 -1.163172
H 1.030745 3.178226 0.615462
H 2.536199 3.326883 -0.330578
H 5.886333 2.087586 1.036350
H 5.012545 0.675455 1.697220
H 4.234489 2.285439 1.696869
H 5.148379 -3.242985 -0.030553
H 3.542954 -3.370078 -0.879171
H 3.589673 -3.265173 0.909564
H -6.839271 0.992333 0.965219
H -6.034766 2.256083 -0.024626
H -6.891925 0.888618 -0.811546


