%chk=000167821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167821

0 1
 S   -4.386000       1.387900      0.3386000    
 O    2.667700      0.5215000      0.8772000    
 O    1.744300      -2.185000      -1.300600    
 O    4.112300      -2.024400      2.3000000E-02
 O    4.273500       2.723600      0.2175000    
 N   0.3841000      0.1867000      0.3267000    
 N   -1.170200       1.767300      7.3500000E-02
 N   -1.039500      -1.718900      0.8207000    
 N   -3.397600      -1.090000      0.8186000    
 N   -5.753600      0.1169000      -1.822400    
 C    2.230200     -0.9014000     -0.9648000    
 C    1.706700     -0.4316000      0.3839000    
 C    3.728100     -0.8756000     -0.7325000    
 C    3.900900      0.3655000      0.1375000    
 C    4.137000       1.631300     -0.6745000    
 C  -0.8201000     -0.4282000      0.5284000    
 C   0.1200000       1.504700      5.7200000E-02
 C   -1.769600      0.5681000      0.3667000    
 C   -3.101800      0.1985000      0.5223000    
 C   -2.363400      -1.955900      0.9475000    
 C   -5.203200      0.6390000     -0.9447000    
 H    1.956400     -0.2025000      -1.763600    
 H    1.643200      -1.248500       1.113100    
 H    4.311500     -0.8724000      -1.657600    
 H    4.698000      0.2457000      0.8801000    
 H    3.300900       1.852400      -1.345200    
 H    5.053000       1.553900      -1.267500    
 H    2.037100      -2.806800     -0.6128000    
 H    5.067000      -1.952900      0.1938000    
 H   0.8993000       2.225900     -0.1480000    
 H    3.455100       2.779500      0.7399000    
 H   -2.637100      -2.978400       1.184500    


%chk=000167821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167821

0 1
S -4.555857 1.306516 -0.519081
O 2.487952 0.544977 0.794027
O 2.104570 -2.037615 -1.824100
O 4.078726 -2.136781 -0.066078
O 4.287175 2.706510 0.939813
N 0.355990 0.148198 -0.190760
N -1.256568 1.610285 -0.937119
N -1.102807 -1.509930 0.940084
N -3.470241 -0.920767 0.761701
N -6.941387 -0.078760 0.499052
C 2.485674 -0.795348 -1.205056
C 1.659067 -0.441601 0.069586
C 3.935138 -0.792299 -0.648032
C 3.928234 0.324030 0.418889
C 4.467326 1.675349 -0.075816
C -0.869552 -0.377741 0.232181
C 0.057437 1.337454 -0.880223
C -1.858842 0.542363 -0.249950
C -3.191102 0.194467 0.059901
C -2.430167 -1.719540 1.172944
C -5.936712 0.442035 0.108899
H 2.360163 -0.009399 -1.969400
H 1.489342 -1.345241 0.684710
H 4.690157 -0.622721 -1.439546
H 4.459377 0.017297 1.338867
H 3.966712 1.956076 -1.029597
H 5.556272 1.618614 -0.249007
H 2.543174 -2.766237 -1.304094
H 5.012823 -2.314976 0.199643
H 0.833865 1.975403 -1.295304
H 3.340340 2.676777 1.237662
H -2.702080 -2.611497 1.741705


