%chk=000268900.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268900

0 1
S -3.226643 1.361826 1.438882
O 0.082296 -0.463795 -2.568574
O 1.146329 -0.822148 2.111613
O 2.075532 2.942787 -0.282023
N 1.087256 1.205493 -1.430280
N 1.644681 1.009199 0.898626
C 0.619779 -0.994870 -0.259565
C -0.812100 -1.510275 0.025137
C 1.594075 -2.149471 -0.623505
C 0.545922 -0.105303 -1.509506
C 1.130550 -0.313858 1.013485
C -1.772948 -0.400846 0.307649
C 1.660381 -3.263156 0.411105
C 1.636451 1.814982 -0.269801
C -2.521246 0.256166 -0.748353
C -2.049796 0.094198 1.550066
C -3.349861 1.232180 -0.291984
H -0.777706 -2.217624 0.885379
H -1.160210 -2.113097 -0.843765
H 2.608186 -1.727632 -0.783707
H 1.283384 -2.575503 -1.604211
H 1.820498 -2.877590 1.430730
H 0.741843 -3.861532 0.435561
H 2.487819 -3.950394 0.193240
H 1.044365 1.792535 -2.280448
H 2.010917 1.452915 1.758141
H -2.402985 -0.030342 -1.787517
H -1.635362 -0.213514 2.496843
H -4.011107 1.868268 -0.855119


%chk=000268900-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268900

0 1
S -3.475618 1.296191 1.520619
O 0.013113 -0.409861 -2.568518
O 1.002345 -0.735064 2.175731
O 2.457412 2.867235 -0.363045
N 1.242356 1.183135 -1.436921
N 1.779554 0.989927 0.855280
C 0.600548 -0.939216 -0.243265
C -0.837238 -1.502416 0.027194
C 1.605780 -2.114022 -0.608395
C 0.567624 -0.047470 -1.498356
C 1.113034 -0.238563 1.023996
C -1.878176 -0.427931 0.289734
C 1.712351 -3.254638 0.421944
C 1.872201 1.758318 -0.318357
C -2.642528 0.238420 -0.750340
C -2.208705 0.028591 1.559597
C -3.535516 1.179649 -0.270995
H -0.765224 -2.173437 0.898068
H -1.123299 -2.102695 -0.854855
H 2.608779 -1.673161 -0.777654
H 1.263467 -2.512821 -1.582120
H 1.983645 -2.883906 1.424354
H 0.767232 -3.817198 0.512201
H 2.491161 -3.966408 0.092681
H 1.262318 1.745960 -2.293893
H 2.177823 1.419352 1.697156
H -2.524619 0.007286 -1.812352
H -1.798868 -0.287947 2.517986
H -4.230653 1.812289 -0.819375


