%chk=000252465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252465

0 1
S 1.777283 -1.792185 -0.601066
O 1.761996 -2.774108 0.451791
O 2.025798 -2.218949 -1.969318
O 0.068648 -0.207049 1.283104
N 0.142110 -1.163930 -0.765760
N -5.978761 0.957301 -0.679277
N 5.224815 2.803259 0.687223
N -6.893725 1.259591 0.371276
C 2.755869 -0.460236 -0.220302
C -1.939750 -0.071547 -0.013014
C 2.820354 0.035039 1.094662
C 3.537032 0.139868 -1.223780
C -0.527601 -0.461794 0.248045
C 4.428993 1.704840 0.393581
C 3.646940 1.102999 1.411984
C 4.370300 1.208782 -0.937087
C -2.873750 -0.232658 1.022006
C -2.346159 0.479982 -1.238719
C -4.613835 0.676915 -0.397031
C -4.205855 0.130735 0.838184
C -3.668170 0.859733 -1.435339
H -0.380566 -1.418400 -1.615569
H 2.201585 -0.425748 1.880667
H 3.491008 -0.250784 -2.249530
H 3.680861 1.479634 2.430101
H 4.967322 1.664404 -1.720579
H -2.546199 -0.646565 1.980870
H -1.618875 0.628336 -2.039680
H -4.914716 -0.028856 1.645104
H -3.974383 1.286063 -2.388057
H -6.141825 1.623193 -1.451844
H 5.880367 3.156159 0.013129
H 5.373323 3.086894 1.639613
H -6.430978 1.641101 1.204825
H -7.345458 0.381779 0.660386


%chk=000252465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252465

0 1
S 1.815407 -1.755580 -0.785750
O 1.831614 -2.940715 0.313159
O 2.114122 -2.072861 -2.356014
O -0.054913 -0.425561 1.297384
N 0.099593 -1.045033 -0.935309
N -6.096612 1.001702 -0.587607
N 5.461020 2.738872 0.951911
N -6.995143 1.306287 0.446086
C 2.890595 -0.342094 -0.236067
C -2.025552 -0.139217 -0.097610
C 3.011645 -0.065735 1.138242
C 3.594278 0.362438 -1.230162
C -0.608272 -0.541793 0.158786
C 4.608766 1.715950 0.556013
C 3.876934 0.967786 1.530159
C 4.455866 1.396558 -0.828639
C -2.835909 0.149114 1.032052
C -2.606790 -0.019464 -1.391199
C -4.760825 0.632458 -0.406329
C -4.180918 0.525182 0.892215
C -3.947485 0.360360 -1.548490
H -0.328925 -1.324974 -1.824292
H 2.428363 -0.633385 1.867869
H 3.480060 0.089762 -2.284204
H 3.985147 1.207237 2.593982
H 5.018338 1.958515 -1.582949
H -2.377148 0.066713 2.023058
H -2.010588 -0.190518 -2.295437
H -4.786330 0.735040 1.779548
H -4.375891 0.456037 -2.553794
H -6.478849 1.065579 -1.530954
H 5.986345 3.276151 0.268137
H 5.576697 2.970405 1.934395
H -6.767768 2.162267 0.963718
H -7.242874 0.506313 1.038692


