%chk=000036895.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036895

1 1
 S  -0.3344000      -2.578300     -0.3229000    
 O   0.9442000      -1.815800      0.3504000    
 O  -0.7333000      -3.679500      0.5318000    
 O  -4.3900002E-02  -2.778300      -1.730200    
 O   -4.905300       2.216900     -0.9596000    
 O   -5.475200       1.432300       1.009800    
 N    3.445300     -0.3986000      0.3181000    
 N    4.294500      0.9555000      -1.140600    
 N   -4.740100       1.416900     -7.1000000E-03
 C    3.218200      -1.603200       1.092600    
 C    2.759300      0.7909000      0.4541000    
 C    3.307600       1.665000     -0.4876000    
 C    2.185000      -2.503700      0.4354000    
 C    4.365800     -0.2842000     -0.6449000    
 C    1.726500       1.162800       1.306500    
 C    2.861300       2.972100     -0.6424000    
 C   -1.639700      -1.393700     -0.2291000    
 C    1.265200       2.479100       1.162000    
 C    1.819100       3.362200      0.2107000    
 C   -1.828100     -0.5070000      -1.276900    
 C   -2.455400      -1.370300      0.8907000    
 C   -2.859900      0.4287000      -1.202800    
 C   -3.487200     -0.4347000      0.9646000    
 C   -3.689500      0.4649000     -8.2300000E-02
 H    4.171000      -2.135400       1.191000    
 H    2.897100      -1.319800       2.100900    
 H    2.511400      -2.780100     -0.5730000    
 H    2.055100      -3.415200       1.028100    
 H    5.048300      -1.051700     -0.9720000    
 H    4.880700       1.318800      -1.887100    
 H    1.303000      0.4845000       2.035900    
 H    3.294600       3.639400      -1.376100    
 H   0.4571000       2.830200       1.800000    
 H    1.425300       4.373600      0.1380000    
 H   -1.188000     -0.5132000      -2.153800    
 H   -2.309600      -2.055200       1.720300    
 H   -2.986500       1.115300      -2.036100    
 H   -4.112500     -0.4341000       1.853800    


%chk=000036895-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036895

1 1
S -0.070770 -0.808427 -0.328352
O 0.364754 -0.807767 1.533301
O 0.514056 -2.211349 -0.914801
O 0.445215 0.588479 -0.956737
O -6.760812 0.242589 0.096377
O -6.726084 -2.041068 0.179718
N 3.206671 -0.307339 0.529864
N 3.668046 -0.168614 -1.635809
N -6.154621 -0.891820 0.095643
C 2.842168 -0.869095 1.857025
C 3.452529 1.064988 0.249800
C 3.747264 1.150178 -1.142782
C 1.517548 -1.658662 1.845799
C 3.338181 -1.014749 -0.626093
C 3.444030 2.210500 1.070189
C 4.040488 2.374684 -1.773191
C -1.937085 -0.839310 -0.194128
C 3.738333 3.436660 0.442335
C 4.030148 3.518428 -0.951740
C -2.601637 0.398688 -0.198681
C -2.564638 -2.093649 -0.106858
C -4.008992 0.375019 -0.103913
C -3.971850 -2.105208 -0.015101
C -4.659878 -0.872974 -0.009404
H 3.660404 -1.520749 2.215218
H 2.752939 -0.020237 2.551456
H 1.550881 -2.529583 1.159187
H 1.320886 -2.038207 2.865211
H 3.187613 -2.084095 -0.734273
H 3.784046 -0.453081 -2.609500
H 3.217335 2.170149 2.138873
H 4.262469 2.442708 -2.841744
H 3.742104 4.353229 1.039558
H 4.250817 4.495126 -1.392177
H -2.052223 1.340555 -0.286483
H -1.989849 -3.024091 -0.128528
H -4.599016 1.295094 -0.101166
H -4.534469 -3.039901 0.052106


