%chk=000126660.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126660

0 1
 S   -2.951500     -7.6099999E-02 -0.8135000    
 O   0.9425000       1.932100       1.220600    
 O    2.033200      -1.452500     -0.6324000    
 O   -4.016400      -1.239000       1.309300    
 N  -0.4488000       1.891900     -0.6385000    
 N    2.895200      0.6657000     -0.2274000    
 N    4.385000      -2.572600      0.2360000    
 C   -1.678500       2.243000      3.5599999E-02
 C    1.890500       1.420600     -0.9417000    
 C   -2.448400       1.030000      0.5396000    
 C   0.7680000       1.764900      1.5600000E-02
 C    2.882200     -0.7183000     -0.1319000    
 C    4.036100      -1.237800      0.7010000    
 C   -3.860500      -1.280400      9.4999999E-02
 C   -4.428500      -2.371600     -0.7672000    
 H   -2.283000       2.825500     -0.6687000    
 H   -1.438900       2.896600      0.8818000    
 H    1.523300      0.8308000      -1.787100    
 H    2.346300       2.345300      -1.306500    
 H   -1.831800      0.4604000       1.243400    
 H   -3.344400       1.370600       1.069100    
 H  -0.4937000       1.735500      -1.641100    
 H    3.624100       1.189800      0.2478000    
 H    3.726900      -1.267800       1.750100    
 H    4.908100     -0.5828000      0.6131000    
 H    3.574900      -3.187200      0.3051000    
 H    4.641000      -2.540700     -0.7500000    
 H   -3.624200      -2.914400      -1.271400    
 H   -5.122100      -1.952800      -1.501700    
 H   -4.979000      -3.078100     -0.1386000    


%chk=000126660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126660

0 1
S -3.615825 -1.025122 0.249511
O 0.927932 1.411415 1.164445
O 3.981004 -1.544813 -1.302019
O -5.214936 1.164318 -0.200591
N -0.741491 0.442718 -0.145802
N 2.903890 -0.039190 0.094069
N 6.565718 -0.630546 -0.409192
C -1.848874 1.214831 0.436671
C 1.580538 -0.318038 -0.451877
C -2.808361 0.351854 1.273715
C 0.564819 0.589101 0.264569
C 4.029035 -0.684532 -0.365734
C 5.353536 -0.326437 0.360071
C -5.040677 -0.044554 -0.462321
C -5.941398 -0.878494 -1.351065
H -2.413778 1.728372 -0.362317
H -1.392641 1.983695 1.085680
H 1.313915 -1.385159 -0.311807
H 1.562254 -0.133925 -1.544766
H -2.290399 -0.159702 2.100033
H -3.634213 0.971992 1.661218
H -0.973277 -0.261304 -0.851257
H 2.927888 0.679758 0.828294
H 5.378303 -0.900874 1.307440
H 5.355901 0.743274 0.642778
H 6.565716 -1.604666 -0.737359
H 6.692979 0.001065 -1.208896
H -6.933859 -0.969057 -0.872453
H -5.537997 -1.887044 -1.531574
H -6.088101 -0.358334 -2.314068


