%chk=000052501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052501

0 1
 S   -1.297500       1.946600      5.6499999E-02
 O  -0.6058000       2.222000      -1.188400    
 O   -1.882900       3.030900      0.8214000    
 O   0.1795000      -2.558900       1.038600    
 O  -0.9894000      -1.181900       2.410400    
 N  -0.2854000       1.039100       1.075900    
 N    4.592700     -0.3682000     -0.5401000    
 N    6.821400      0.4647000     -0.2094000    
 N    6.472400      -1.641900      -1.006700    
 C   0.3132000     -0.2240000      0.5875000    
 C    1.836300     -0.1608000      0.7062000    
 C    2.527800      0.9039000     -0.1578000    
 C    4.050500      0.9050000     -6.3900001E-02
 C   -2.596200      0.7968000     -0.2843000    
 C  -0.2456000      -1.334900       1.450300    
 C   -3.701600      0.7593000      0.5479000    
 C   -2.483600     -4.4599999E-02  -1.377500    
 C   -4.629700      -1.003400     -0.8189000    
 C   -4.726400     -0.1479000      0.2786000    
 C   -3.508400     -0.9518000      -1.646900    
 C   -5.725900      -1.972500      -1.107800    
 C    5.884500     -0.4774000     -0.5717000    
 H   4.1299999E-02 -0.4190000     -0.4517000    
 H    2.113300      1.0100000E-02   1.755600    
 H    2.251100      -1.142800      0.4463000    
 H    2.164700       1.896900      0.1322000    
 H    2.234500      0.7511000      -1.204100    
 H  -0.2736000       1.210700       2.088500    
 H    4.345200       1.079100      0.9781000    
 H    4.429400       1.732800     -0.6756000    
 H   -3.791600       1.410400       1.411800    
 H   -1.624200     -1.6700000E-02  -2.039900    
 H   -5.593300     -0.1813000      0.9331000    
 H   -3.421700      -1.613200      -2.504900    
 H  -0.1819000      -3.278400       1.599000    
 H   -5.534000      -2.920200     -0.5951000    
 H   -6.694800      -1.583900     -0.7760000    
 H   -5.809600      -2.165400      -2.182800    
 H    6.561400       1.380700      0.1384000    
 H    7.814100      0.2671000     -0.2771000    
 H    7.480500      -1.746900      -1.039700    
 H    5.911200      -2.430700      -1.308700    


%chk=000052501-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052501

0 1
S -1.406581 1.817012 -0.313718
O -0.799036 1.874564 -1.821945
O -1.833800 3.127112 0.542424
O 0.174983 -2.479801 -0.385743
O -0.754605 -1.593768 1.551148
N -0.047368 1.039725 0.685147
N 4.983236 -0.286096 -0.126540
N 7.228819 0.521578 0.345297
N 6.881952 -1.510448 -0.776690
C 0.602047 -0.137089 0.077602
C 2.104536 -0.170360 0.493810
C 2.888999 1.021930 -0.083372
C 4.371380 0.976250 0.339996
C -2.909664 0.661715 -0.375309
C -0.078681 -1.439650 0.507672
C -3.878604 0.778045 0.634652
C -3.009723 -0.241807 -1.444547
C -5.142205 -1.025166 -0.479480
C -4.998468 -0.077681 0.570440
C -4.141284 -1.087647 -1.484149
C -6.342084 -1.953676 -0.518930
C 6.290433 -0.393934 -0.161891
H 0.553252 -0.031834 -1.022539
H 2.171582 -0.172394 1.600595
H 2.566176 -1.106104 0.129062
H 2.428353 1.969293 0.251989
H 2.836581 0.995908 -1.188923
H -0.405608 0.872195 1.643825
H 4.424087 1.055682 1.452046
H 4.885504 1.877372 -0.073850
H -3.772758 1.529570 1.423799
H -2.250228 -0.257853 -2.233010
H -5.773764 -0.005885 1.342030
H -4.250313 -1.797370 -2.312163
H -0.233538 -3.322165 -0.045441
H -6.218059 -2.787367 0.198822
H -7.272054 -1.424553 -0.244963
H -6.481894 -2.395728 -1.520064
H 6.903035 1.317365 0.886340
H 8.168151 0.561550 -0.044374
H 7.736801 -1.902107 -0.383438
H 6.222311 -2.155883 -1.208314


