%chk=000051740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051740

0 1
 S   0.5960000      -1.825200      -1.323500    
 O    3.257900     -0.3378000       2.552900    
 O   0.6722000      0.9627000      -2.476800    
 O   -2.155800       1.640100       1.602500    
 N    1.739400      0.5092000     -0.4377000    
 N   -2.763400      0.2273000     -0.1460000    
 N    2.009400      -1.325700      0.8696000    
 C   -1.073900      -1.562400     -0.5977000    
 C   -1.441600     -6.6600002E-02 -0.6345000    
 C   -2.082400      -2.357000      -1.439000    
 C   -1.063900      -2.103600      0.8381000    
 C    1.502000     -0.8512000     -0.2183000    
 C    2.522500      0.9911000      0.6829000    
 C    2.652800     -0.2783000       1.489800    
 C    1.336300       1.330700      -1.507500    
 C   -3.009000       1.059800      0.9364000    
 C    1.780600       2.771400      -1.410700    
 C   -4.479200       1.215400       1.219500    
 H  -0.7486000      0.5347000     -4.6399999E-02
 H   -1.448000      0.2990000      -1.665300    
 H   -1.814800      -3.419700      -1.488200    
 H   -3.091300      -2.311400      -1.013900    
 H   -2.141200      -1.978000      -2.466200    
 H  -0.5034000      -1.464700       1.527500    
 H  -0.6601000      -3.121300      0.8941000    
 H   -2.084800      -2.151100       1.237300    
 H   -3.554900     -0.1427000     -0.6642000    
 H    1.969200       1.754300       1.234400    
 H    3.498000       1.345500      0.3433000    
 H    1.419500       3.322300      -2.284600    
 H    2.871700       2.832300      -1.394300    
 H    1.361700       3.237800     -0.5153000    
 H   -4.618300       1.640100       2.217400    
 H   -4.923100       1.883800      0.4769000    
 H   -4.980400      0.2439000       1.181300    


%chk=000051740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051740

0 1
S 0.004161 -0.340065 -1.612917
O 1.885063 1.823244 2.633474
O 2.296849 0.447854 -3.080837
O -3.162044 -0.258496 2.733157
N 2.301692 1.050406 -0.830422
N -3.647398 0.002481 0.467442
N 0.726601 0.729435 0.847182
C -1.540497 -0.950662 -0.541856
C -2.269513 0.298760 0.043906
C -2.374235 -1.651294 -1.638573
C -1.077142 -1.933181 0.544201
C 1.033371 0.519882 -0.436714
C 2.900141 1.686300 0.364599
C 1.807549 1.444407 1.445934
C 2.891543 0.995226 -2.113377
C -4.008807 -0.224356 1.793288
C 4.267704 1.631125 -2.234485
C -5.505622 -0.422063 2.033890
H -1.707053 0.660437 0.919571
H -2.299264 1.097894 -0.720503
H -1.792774 -2.449212 -2.133700
H -3.256667 -2.123821 -1.170923
H -2.721677 -0.943385 -2.414217
H -0.395404 -1.441540 1.255074
H -0.583100 -2.815571 0.100088
H -1.959018 -2.274338 1.118203
H -4.383476 0.018871 -0.239612
H 3.068337 2.767729 0.223675
H 3.847136 1.205138 0.663704
H 4.607252 1.516027 -3.273773
H 4.997762 1.145697 -1.561396
H 4.241658 2.706798 -1.981896
H -5.661079 -1.371822 2.573175
H -5.871701 0.387554 2.689080
H -6.109247 -0.430760 1.109358


