%chk=000052880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052880

0 1
 S   -3.146600      -2.545100      0.8636000    
 O   0.2428000      0.6104000      -2.324200    
 O   -1.086300       3.428300       1.038900    
 N  -0.6554000       1.130900      0.9906000    
 N  -0.4149000       2.305800     -0.8837000    
 C  -0.2402000      0.1334000      2.5500000E-02
 C    1.105700     -0.4797000      0.4075000    
 C   -1.322200     -0.9180000     -0.1812000    
 C    1.629700      -1.381300     -0.7185000    
 C    2.123800      0.6170000      0.7479000    
 C   -2.688800     -0.2889000     -0.4492000    
 C   -1.501100      -1.800900       1.050700    
 C    3.000300      -1.964400     -0.3820000    
 C    3.493600      3.0600000E-02   1.081700    
 C  -9.7900003E-02   1.011800      -1.219700    
 C    4.007200     -0.8719000     -3.5799999E-02
 C   -3.693500      -1.428800     -0.4571000    
 C  -0.7563000       2.410900      0.4451000    
 H   0.9951000      -1.085700       1.316400    
 H   -1.080800      -1.547200      -1.048700    
 H    1.761500     -0.8468000      -1.660100    
 H   0.9509000      -2.218400     -0.9084000    
 H    1.795500       1.206600       1.611600    
 H    2.249800       1.313600     -8.9599997E-02
 H   -2.720800      0.2430000      -1.406200    
 H   -2.978700      0.4267000      0.3302000    
 H  -0.7490000      -2.592800       1.106200    
 H   -1.490900      -1.240000       1.989500    
 H    3.371400      -2.552000      -1.229600    
 H    2.904600      -2.654200      0.4657000    
 H    3.427500     -0.5442000       2.013700    
 H    4.209200      0.8417000       1.257900    
 H  -0.8460000      0.9314000       1.967700    
 H    4.957100      -1.327600      0.2653000    
 H    4.211200     -0.2674000     -0.9282000    
 H   -4.713500      -1.077800     -0.2793000    
 H   -3.668300      -1.969300      -1.408400    
 H  -0.3994000       3.084300      -1.532400    


%chk=000052880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052880

0 1
S -3.172235 -2.761118 0.695951
O 0.100881 0.824764 -2.355212
O -1.112369 3.502616 1.330725
N -0.673256 1.168238 1.114482
N -0.499115 2.432263 -0.721881
C -0.257303 0.209658 0.062904
C 1.158988 -0.402470 0.399473
C -1.348390 -0.882174 -0.205312
C 1.625997 -1.487176 -0.608268
C 2.245398 0.699106 0.535426
C -2.755723 -0.306259 -0.509636
C -1.519944 -1.862762 0.977018
C 2.997178 -2.079354 -0.197197
C 3.607334 0.101822 0.961362
C -0.180208 1.151722 -1.176191
C 4.074253 -0.983308 -0.036125
C -3.720927 -1.498591 -0.630418
C -0.802185 2.478166 0.678574
H 1.048838 -0.889387 1.395576
H -1.018500 -1.449931 -1.096259
H 1.695857 -1.036954 -1.617016
H 0.888473 -2.308744 -0.674018
H 1.924502 1.467772 1.263696
H 2.372887 1.205887 -0.443132
H -2.755822 0.282333 -1.445668
H -3.073692 0.357148 0.316093
H -0.725248 -2.622876 1.020590
H -1.582453 -1.336861 1.946126
H 3.317733 -2.824098 -0.950596
H 2.888004 -2.624718 0.763929
H 3.514964 -0.345026 1.973319
H 4.361641 0.908222 1.036870
H -0.792031 0.926137 2.096345
H 5.028449 -1.431264 0.301624
H 4.269383 -0.513116 -1.021544
H -4.766706 -1.223778 -0.424429
H -3.648841 -1.988237 -1.614923
H -0.529513 3.266348 -1.308858


